(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid

C16H17NO2 — CID 10587129

IUPAC(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
SMILESCc1ccc([C@@H](NCc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C16H17NO2/c1-12-7-9-14(10-8-12)15(16(18)19)17-11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRJPFHHMZUBIMOV-OAHLLOKOSA-N
MW255.32 g/mol
LogP2.91
Rot. Bonds5

About (2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid

(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid (PubChem CID 10587129) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
PubChem CID10587129
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
SMILESCc1ccc([C@@H](NCc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C16H17NO2/c1-12-7-9-14(10-8-12)15(16(18)19)17-11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRJPFHHMZUBIMOV-OAHLLOKOSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid
CID 79972990
2-(benzylamino)-2-(3-chloro-4-methylphenyl)acetic acid
CID 106817664
2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 84746836
2-(4-methylphenyl)-2-[(1-phenylpyrazol-4-yl)methylamino]acetic acid
CID 86784996
2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992145
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid?
The IUPAC name of (2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid (CID 10587129) is (2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid?
The canonical SMILES for (2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid is Cc1ccc([C@@H](NCc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid?
The InChIKey is RJPFHHMZUBIMOV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-7-9-14(10-8-12)15(16(18)19)17-11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid?
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid has a molecular weight of 255.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 10587129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).