(2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

C17H17NO5 — CID 101062090

IUPAC(2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](C(=O)O)[C@@H](O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c19-15(13-9-5-2-6-10-13)14(16(20)21)18-17(22)23-11-12-7-3-1-4-8-12/h1-10,14-15,19H,11H2,(H,18,22)(H,20,21)/t14-,15-/m0/s1
InChIKeySYNFYDJGTLTEFE-GJZGRUSLSA-N
MW315.32 g/mol
LogP2.10
Rot. Bonds6

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

(2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 101062090) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID101062090
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name(2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](C(=O)O)[C@@H](O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c19-15(13-9-5-2-6-10-13)14(16(20)21)18-17(22)23-11-12-7-3-1-4-8-12/h1-10,14-15,19H,11H2,(H,18,22)(H,20,21)/t14-,15-/m0/s1
InChIKeySYNFYDJGTLTEFE-GJZGRUSLSA-N
XLogP2.10
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 100937559
benzyl N-[(1S,2R)-1-hydroxy-3-oxo-1-phenylbutan-2-yl]carbamate
CID 134974281
(2R,3S)-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid
CID 13036356
(2R,3R)-3-(6-fluoro-3-pyridinyl)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid
CID 125457923
(2S,3R,4S)-4-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 58703506
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
benzyl N-[(2S,3S)-1,1,1-trifluoro-3-hydroxy-3-phenylpropan-2-yl]carbamate
CID 11782745
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659
(2S,3R)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid
CID 132598880
(2R)-4,4-dimethyl-3-[[(1R)-1-phenylethyl]carbamoyl]-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 67530189
(2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid
CID 54231221
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (CID 101062090) is (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid is O=C(N[C@H](C(=O)O)[C@@H](O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is SYNFYDJGTLTEFE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H17NO5/c19-15(13-9-5-2-6-10-13)14(16(20)21)18-17(22)23-11-12-7-3-1-4-8-12/h1-10,14-15,19H,11H2,(H,18,22)(H,20,21)/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid?
(2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 315.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 101062090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).