(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid

C19H21NO2 — CID 122038518

IUPAC(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
SMILESO=C(O)[C@@H](NCc1ccc(C2CCC2)cc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c21-19(22)18(17-5-2-1-3-6-17)20-13-14-9-11-16(12-10-14)15-7-4-8-15/h1-3,5-6,9-12,15,18,20H,4,7-8,13H2,(H,21,22)/t18-/m0/s1
InChIKeyZYRDPCMRJYPBEP-SFHVURJKSA-N
MW295.38 g/mol
LogP3.87
Rot. Bonds6

About (2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid

(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid (PubChem CID 122038518) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
PubChem CID122038518
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
SMILESO=C(O)[C@@H](NCc1ccc(C2CCC2)cc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c21-19(22)18(17-5-2-1-3-6-17)20-13-14-9-11-16(12-10-14)15-7-4-8-15/h1-3,5-6,9-12,15,18,20H,4,7-8,13H2,(H,21,22)/t18-/m0/s1
InChIKeyZYRDPCMRJYPBEP-SFHVURJKSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid
CID 79972990
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511834
(2S)-2-[(4-cyclobutylphenyl)methylamino]-4-methylpentanoic acid
CID 122037087
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
CID 79978602
2-[(4-cyclopentylphenyl)methylamino]pentanoic acid
CID 122039745
(2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 87239867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid (CID 122038518) is (2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid is O=C(O)[C@@H](NCc1ccc(C2CCC2)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid?
The InChIKey is ZYRDPCMRJYPBEP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(22)18(17-5-2-1-3-6-17)20-13-14-9-11-16(12-10-14)15-7-4-8-15/h1-3,5-6,9-12,15,18,20H,4,7-8,13H2,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid?
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid has a molecular weight of 295.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid is sourced from PubChem (CID 122038518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).