2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid

C16H16ClNO2 — CID 14259182

IUPAC2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c17-14-9-5-4-8-13(14)11-18-15(16(19)20)10-12-6-2-1-3-7-12/h1-9,15,18H,10-11H2,(H,19,20)
InChIKeyBJRMTZCCRLKTIO-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.13
Rot. Bonds6

About 2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid

2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid (PubChem CID 14259182) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid
PubChem CID14259182
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c17-14-9-5-4-8-13(14)11-18-15(16(19)20)10-12-6-2-1-3-7-12/h1-9,15,18H,10-11H2,(H,19,20)
InChIKeyBJRMTZCCRLKTIO-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
CID 121475383
2-[[3-[(2-chlorophenyl)methyl]-2-[(Z)-prop-1-enyl]imidazol-4-yl]methylamino]-3-phenylpropanoic acid
CID 67795946
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
2-chloro-6-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]phenol
CID 115907196
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 3372467
2-[(2,5-dichlorophenyl)methylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 166643841
3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 20720633

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid (CID 14259182) is 2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid?
The InChIKey is BJRMTZCCRLKTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-9-5-4-8-13(14)11-18-15(16(19)20)10-12-6-2-1-3-7-12/h1-9,15,18H,10-11H2,(H,19,20).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid?
2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid has a molecular weight of 289.76 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 14259182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).