(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid

C17H18N2O4 — CID 25136290

IUPAC(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESN[C@H](C(=O)O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O4/c18-14(16(20)21)15(13-9-5-2-6-10-13)19-17(22)23-11-12-7-3-1-4-8-12/h1-10,14-15H,11,18H2,(H,19,22)(H,20,21)/t14-,15+/m0/s1
InChIKeyUBHRZPPERBQCKU-LSDHHAIUSA-N
MW314.34 g/mol
LogP2.07
Rot. Bonds6

About (2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid

(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 25136290) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID25136290
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESN[C@H](C(=O)O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O4/c18-14(16(20)21)15(13-9-5-2-6-10-13)19-17(22)23-11-12-7-3-1-4-8-12/h1-10,14-15H,11,18H2,(H,19,22)(H,20,21)/t14-,15+/m0/s1
InChIKeyUBHRZPPERBQCKU-LSDHHAIUSA-N
XLogP2.07
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
CID 139989757
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15837581
methyl (3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 22865507
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
(2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 101062090
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-(1-aminobutyl)carbamate
CID 3840640
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid (CID 25136290) is (2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid is N[C@H](C(=O)O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is UBHRZPPERBQCKU-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H18N2O4/c18-14(16(20)21)15(13-9-5-2-6-10-13)19-17(22)23-11-12-7-3-1-4-8-12/h1-10,14-15H,11,18H2,(H,19,22)(H,20,21)/t14-,15+/m0/s1.
What are the key properties of (2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid?
(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 314.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 25136290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).