Z-D-Ala-NH2

CAT: 0127-OR1068841-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1068841-01Size:1 g

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CAS Number

151378-81-3

MDL Number

MFCD00237324

Purity

97%

Smiles

O=C(OCC1=CC=CC=C1)N[C@H](C)C(N)=O

Chemical Information

Z-D-Ala-NH2

CAS Number	151378-81-3
PubChem CID	6950969
IUPAC Name	benzyl N-[(2R)-1-amino-1-oxopropan-2-yl]carbamate
Molecular Formula	C11H14N2O3
Molecular Weight	222.24
XLogP	0.8
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	250

SMILES

C[C@H](C(=O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C11H14N2O3/c1-8(10(12)14)13-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)(H,13,15)/t8-/m1/s1

InChIKey

CTZZSWNVVFTJRN-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 151378-81-3

CID: 6950969

Formula: C11H14N2O3

MW: 222.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.24
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	222.10044231
Monoisotopic Mass	222.10044231
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	250
Isotope Atom Count	0
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