(2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid

C18H19NO5 — CID 10958449

IUPAC(2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1
InChIKeyJXJYTERRLRAUSF-JKSUJKDBSA-N
MW329.35 g/mol
LogP1.97
Rot. Bonds7

About (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid

(2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid (PubChem CID 10958449) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
PubChem CID10958449
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name(2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1
InChIKeyJXJYTERRLRAUSF-JKSUJKDBSA-N
XLogP1.97
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid?
The IUPAC name of (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid (CID 10958449) is (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid is O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid?
The InChIKey is JXJYTERRLRAUSF-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1.
What are the key properties of (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid?
(2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid has a molecular weight of 329.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 10958449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).