(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid

C16H17NO3 — CID 725701

IUPAC(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1
InChIKeyKAFHLONDOVSENM-HNNXBMFYSA-N
MW271.32 g/mol
LogP2.22
Rot. Bonds6

About (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid

(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 725701) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID725701
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1
InChIKeyKAFHLONDOVSENM-HNNXBMFYSA-N
XLogP2.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid (CID 725701) is (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid is N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is KAFHLONDOVSENM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid?
(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 725701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).