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

C16H17NO3 — CID 10612160

IUPAC(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc([C@@H](NCc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C16H17NO3/c1-20-14-9-7-13(8-10-14)15(16(18)19)17-11-12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyVOGRCOIGNHZDSI-OAHLLOKOSA-N
MW271.32 g/mol
LogP2.61
Rot. Bonds6

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

(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid (PubChem CID 10612160) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
PubChem CID10612160
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc([C@@H](NCc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C16H17NO3/c1-20-14-9-7-13(8-10-14)15(16(18)19)17-11-12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyVOGRCOIGNHZDSI-OAHLLOKOSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
(2R)-2-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propan-2-ylacetamide
CID 94640724
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid
CID 79972990
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate
CID 82344726

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of (2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid (CID 10612160) is (2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid is COc1ccc([C@@H](NCc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid?
The InChIKey is VOGRCOIGNHZDSI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-14-9-7-13(8-10-14)15(16(18)19)17-11-12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid?
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 10612160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).