2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid

C16H22ClNO3 — CID 107473834

IUPAC2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C16H22ClNO3/c1-16(2,3)9-12(15(20)21)10-18-14(19)8-11-6-4-5-7-13(11)17/h4-7,12H,8-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyUVZHGNNTJZLYOD-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.14
Rot. Bonds6

About 2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid

2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107473834) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107473834
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C16H22ClNO3/c1-16(2,3)9-12(15(20)21)10-18-14(19)8-11-6-4-5-7-13(11)17/h4-7,12H,8-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyUVZHGNNTJZLYOD-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962
N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
CID 114308630
2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474342
4,4-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]pentanoic acid
CID 107473898
2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113258913
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
3-[[2-(2-chlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261274
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474107
N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide
CID 114306400
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate
CID 113254769

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid (CID 107473834) is 2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)Cc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is UVZHGNNTJZLYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-16(2,3)9-12(15(20)21)10-18-14(19)8-11-6-4-5-7-13(11)17/h4-7,12H,8-10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid?
2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 311.81 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107473834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).