L-Proline-13C5,15N

CAT: 0127-OR1039772Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1039772Size:1 Each

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CAS Number

202407-23-6

Purity

98%

Smiles

O[13C]([13C@H]1[15NH][13CH2][13CH2][13CH2]1)=O

Chemical Information

L-Proline-13C5,15N

CAS Number	202407-23-6
PubChem CID	71310238
IUPAC Name	(2S)-(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
Molecular Formula	C5H9NO2
Molecular Weight	121.087
XLogP	-2.5
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	103

SMILES

[13CH2]1[13CH2][13C@H]([15NH][13CH2]1)[13C](=O)O

InChI

InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

ONIBWKKTOPOVIA-XAFSXMPTSA-N

Chemical Structure

2D Structure

CAS: 202407-23-6

CID: 71310238

Formula: C5H9NO2

MW: 121.087

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.087
XLogP3	-2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	121.07713760
Monoisotopic Mass	121.07713760
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103
Isotope Atom Count	6
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1039801	L-Proline-13C5
OR1037372	L-Proline-15N
OR1039809	L-Methionine-13C5,15N
OR1039763	L-Valine-13C5,15N
OR1039762	L-Glutamic acid-13C5,15N
OR1065304-01	N- (9-Fluorenylmethoxycarbonyl) -L-valine-13C5,15N
OR1039788	L-Glutamine-13C5,15N2
OR1039779	L-Leucine-13C6,15N
OR1039730	L-Cysteine-13C3,15N
OR1034252	L-Threonine-13C4,15N