(2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid

C18H21NO2 — CID 120510352

IUPAC(2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
SMILESCCCc1cccc(CN[C@@H](C(=O)O)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-2-7-14-8-6-9-15(12-14)13-19-17(18(20)21)16-10-4-3-5-11-16/h3-6,8-12,17,19H,2,7,13H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyOAZKWRBWYDKTPI-QGZVFWFLSA-N
MW283.37 g/mol
LogP3.55
Rot. Bonds7

About (2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid

(2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid (PubChem CID 120510352) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
PubChem CID120510352
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
SMILESCCCc1cccc(CN[C@@H](C(=O)O)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-2-7-14-8-6-9-15(12-14)13-19-17(18(20)21)16-10-4-3-5-11-16/h3-6,8-12,17,19H,2,7,13H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyOAZKWRBWYDKTPI-QGZVFWFLSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
CID 120511809
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
2-(3-propylphenyl)butanoic acid
CID 116545486
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid
CID 79883687
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid?
The IUPAC name of (2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid (CID 120510352) is (2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid is CCCc1cccc(CN[C@@H](C(=O)O)c2ccccc2)c1.
What is the InChIKey of (2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid?
The InChIKey is OAZKWRBWYDKTPI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-7-14-8-6-9-15(12-14)13-19-17(18(20)21)16-10-4-3-5-11-16/h3-6,8-12,17,19H,2,7,13H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid?
(2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid is sourced from PubChem (CID 120510352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).