3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid

C14H20ClNO2 — CID 115219650

IUPAC3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
SMILESCC(CNCC(C)(C)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H20ClNO2/c1-10(13(17)18)8-16-9-14(2,3)11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyWGMQAYSJAZJKHF-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.93
Rot. Bonds6

About 3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid

3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid (PubChem CID 115219650) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
PubChem CID115219650
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
SMILESCC(CNCC(C)(C)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H20ClNO2/c1-10(13(17)18)8-16-9-14(2,3)11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyWGMQAYSJAZJKHF-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
CID 115256315
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
(2S)-3-(4-chloroanilino)-2-methylpropanoic acid
CID 93107526
2-methyl-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115220963
(E)-4-[[2-(4-chlorophenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237399
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554
2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid (CID 115219650) is 3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid is CC(CNCC(C)(C)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid?
The InChIKey is WGMQAYSJAZJKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(13(17)18)8-16-9-14(2,3)11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid?
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid has a molecular weight of 269.77 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 115219650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).