3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid

C11H14ClNO2 — CID 24978280

IUPAC3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
SMILESCNC(C)(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H14ClNO2/c1-11(13-2,10(14)15)7-8-3-5-9(12)6-4-8/h3-6,13H,7H2,1-2H3,(H,14,15)
InChIKeyJPPNJDLQNXGENS-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.95
Rot. Bonds4

About 3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid

3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid (PubChem CID 24978280) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
PubChem CID24978280
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
SMILESCNC(C)(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H14ClNO2/c1-11(13-2,10(14)15)7-8-3-5-9(12)6-4-8/h3-6,13H,7H2,1-2H3,(H,14,15)
InChIKeyJPPNJDLQNXGENS-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
3-(3,4-dihydroxyphenyl)-2-methyl-2-(methylamino)propanoic acid
CID 23724779
(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679
3-(3,4-dihydroxyphenyl)-2-methyl-2-(methylamino)propanoic acid;hydrate
CID 23724778
2-chloro-2-[(4-chlorophenyl)methyl]propanedioic acid
CID 122378563
(2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid
CID 87409389
2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 82129570
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165826
2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide
CID 114831914
3-[(4-chlorophenyl)methylsulfanyl]-2-methyl-2-(propylamino)propanoic acid
CID 114791793

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid (CID 24978280) is 3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid is CNC(C)(Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid?
The InChIKey is JPPNJDLQNXGENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(13-2,10(14)15)7-8-3-5-9(12)6-4-8/h3-6,13H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid?
3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid has a molecular weight of 227.69 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid is sourced from PubChem (CID 24978280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).