3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid

C10H17NO3 — CID 79873237

IUPAC3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
SMILESCC1(C)CCCC1NC(=O)CC(=O)O
InChIInChI=1S/C10H17NO3/c1-10(2)5-3-4-7(10)11-8(12)6-9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyOSWHBMGUHNLNRX-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds3

About 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid

3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid (PubChem CID 79873237) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
PubChem CID79873237
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
SMILESCC1(C)CCCC1NC(=O)CC(=O)O
InChIInChI=1S/C10H17NO3/c1-10(2)5-3-4-7(10)11-8(12)6-9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyOSWHBMGUHNLNRX-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic 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-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
2-[(2,2-dimethylcyclopentyl)amino]acetic acid
CID 79865200
1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79872847
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
4-amino-N-(2,2-dimethylcyclopentyl)-4-methylpentanamide
CID 79878624
5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 79878603
3-(2,2-dimethylcyclopentyl)-1,1-dimethylurea
CID 115680560
N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79872163
2-(cyclopropylmethylamino)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878630

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid (CID 79873237) is 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid is CC1(C)CCCC1NC(=O)CC(=O)O.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid?
The InChIKey is OSWHBMGUHNLNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2)5-3-4-7(10)11-8(12)6-9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid?
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 79873237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).