(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid

C16H16BrNO2 — CID 11727351

IUPAC(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid
SMILESC[C@](NCc1ccc(Br)cc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-16(15(19)20,13-5-3-2-4-6-13)18-11-12-7-9-14(17)10-8-12/h2-10,18H,11H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyMSPKAUZIYNTRNM-MRXNPFEDSA-N
MW334.21 g/mol
LogP3.54
Rot. Bonds5

About (2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid

(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid (PubChem CID 11727351) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid
PubChem CID11727351
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid
SMILESC[C@](NCc1ccc(Br)cc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-16(15(19)20,13-5-3-2-4-6-13)18-11-12-7-9-14(17)10-8-12/h2-10,18H,11H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyMSPKAUZIYNTRNM-MRXNPFEDSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791391
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide
CID 134025593
2-(4-bromophenyl)-2-(prop-2-enylamino)propanoic acid
CID 61341410
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765
2-(benzylamino)-2-pyridin-4-ylpropanamide
CID 54891502
2-phenyl-2-(phosphonomethylamino)propanoic acid
CID 69433519
2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide
CID 62913529
2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid
CID 175102525
2-(benzylamino)-2-(4-bromophenyl)butan-1-ol
CID 61046914
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid (CID 11727351) is (2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid is C[C@](NCc1ccc(Br)cc1)(C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid?
The InChIKey is MSPKAUZIYNTRNM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-16(15(19)20,13-5-3-2-4-6-13)18-11-12-7-9-14(17)10-8-12/h2-10,18H,11H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid?
(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid has a molecular weight of 334.21 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 11727351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).