Z-D-Dap-OH

CAT: 0024-sc-224398Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-224398Size:1 g

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CAS Number

62234-37-1

Chemical Information

3-Amino-N-((phenylmethoxy)carbonyl)-D-alanine

CAS Number	62234-37-1
PubChem CID	6950592
IUPAC Name	(2R)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid
Molecular Formula	C11H14N2O4
Molecular Weight	238.24
XLogP	-2.2
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	264

SMILES

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

InChI

InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m1/s1

InChIKey

FOXRXVSTFGNURG-SECBINFHSA-N

Chemical Structure

2D Structure

CAS: 62234-37-1

CID: 6950592

Formula: C11H14N2O4

MW: 238.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	238.24
XLogP3	-2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	238.09535693
Monoisotopic Mass	238.09535693
Topological Polar Surface Area	102 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	264
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