(2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid

C18H21NO2 — CID 99779391

IUPAC(2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid
SMILESCC(C)[C@@H](NCc1cccc(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C18H21NO2/c1-13(2)17(18(20)21)19-12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeySWNWYRCXQSWZCN-QGZVFWFLSA-N
MW283.37 g/mol
LogP3.55
Rot. Bonds6

About (2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid

(2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid (PubChem CID 99779391) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid
PubChem CID99779391
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid
SMILESCC(C)[C@@H](NCc1cccc(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C18H21NO2/c1-13(2)17(18(20)21)19-12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeySWNWYRCXQSWZCN-QGZVFWFLSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

3-methyl-2-[(4-phenylphenyl)methylamino]butanoic acid
CID 43468629
(2S)-3-methyl-2-[(3-phenoxyphenyl)methylamino]butanoic acid
CID 120510625
3-methyl-2-[(3-phenylmethoxyphenyl)methylamino]butanoic acid
CID 66527226
(2R)-2-[(4-bromo-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 120511144
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 99124267
(2S)-2-(benzylamino)-3-methylbutanethioic S-acid
CID 102042242
(2S)-2-[(4-chloro-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 120510685
(2S)-2-(benzylamino)-3-phenylbutanoic acid
CID 141046976
2-[(3-bromophenyl)methylamino]-3-methylpentanoic acid
CID 5005575
2-[(3-chloro-4-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 81145005
(2S)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 120510473
(2S)-3-methyl-2-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 95003392

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid (CID 99779391) is (2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid is CC(C)[C@@H](NCc1cccc(-c2ccccc2)c1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid?
The InChIKey is SWNWYRCXQSWZCN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)17(18(20)21)19-12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid?
(2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(3-phenylphenyl)methylamino]butanoic acid is sourced from PubChem (CID 99779391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).