(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid

C17H19NO3 — CID 95003342

IUPAC(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
SMILESC[C@@H](NCc1cccc(OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C17H19NO3/c1-13(17(19)20)18-11-15-8-5-9-16(10-15)21-12-14-6-3-2-4-7-14/h2-10,13,18H,11-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyPBYPQSMKPDCIBF-CYBMUJFWSA-N
MW285.34 g/mol
LogP2.83
Rot. Bonds7

About (2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid

(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid (PubChem CID 95003342) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
PubChem CID95003342
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
SMILESC[C@@H](NCc1cccc(OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C17H19NO3/c1-13(17(19)20)18-11-15-8-5-9-16(10-15)21-12-14-6-3-2-4-7-14/h2-10,13,18H,11-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyPBYPQSMKPDCIBF-CYBMUJFWSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 95003579
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
3-methyl-2-[(3-phenylmethoxyphenyl)methylamino]butanoic acid
CID 66527226
2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
CID 120509588
2-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528196
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 41061626
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 99124267
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60872987
4-methyl-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528160

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid?
The IUPAC name of (2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid (CID 95003342) is (2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid is C[C@@H](NCc1cccc(OCc2ccccc2)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid?
The InChIKey is PBYPQSMKPDCIBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(17(19)20)18-11-15-8-5-9-16(10-15)21-12-14-6-3-2-4-7-14/h2-10,13,18H,11-12H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid?
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 95003342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).