2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid

C14H25NO3 — CID 174649408

IUPAC2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid
SMILESCC1(CC(NC(=O)C(C)(C)C)C(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)12(18)15-10(11(16)17)9-14(4)7-5-6-8-14/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyZWZSGSNRUMBQJE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds4

About 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid

2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid (PubChem CID 174649408) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid
PubChem CID174649408
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid
SMILESCC1(CC(NC(=O)C(C)(C)C)C(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)12(18)15-10(11(16)17)9-14(4)7-5-6-8-14/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyZWZSGSNRUMBQJE-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 67554583
lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride
CID 173484127
lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 173484144
(2S)-4-amino-2-(2,2-dimethylpropanoylamino)-4-oxobutanoic acid
CID 30053119
2-(2,2-dimethylpropanoylamino)-3-sulfopropanoic acid
CID 134470772
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylcyclohexyl)propanoic acid
CID 165485041
ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one
CID 142227947
2-(2,2-dimethylpropanoylamino)-4-ethylsulfonylbutanoic acid
CID 108731672
(2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen
CID 143391289
(2R)-3-hydroxy-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]propanoic acid
CID 80750513
(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 63830703
[1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid
CID 123916834

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid (CID 174649408) is 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid is CC1(CC(NC(=O)C(C)(C)C)C(=O)O)CCCC1.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid?
The InChIKey is ZWZSGSNRUMBQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)12(18)15-10(11(16)17)9-14(4)7-5-6-8-14/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid?
2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid is sourced from PubChem (CID 174649408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).