3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid

C13H23NO3 — CID 115164079

IUPAC3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCN(CCC1CCCC1)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-13(2,12(16)17)11(15)14(3)9-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyDGGOYJCFOMBHCB-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.14
Rot. Bonds5

About 3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid

3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 115164079) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
PubChem CID115164079
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCN(CCC1CCCC1)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-13(2,12(16)17)11(15)14(3)9-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyDGGOYJCFOMBHCB-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165847
4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165295
3-amino-N-(2-cyclobutylethyl)-N,2,2-trimethylpropanamide
CID 115154782
3-[2-(cyclopropylmethoxy)ethyl-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821123
N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
CID 115167537
1-(2-cyclopentylethyl)-1,3-dimethylurea
CID 115169542
2-cyclobutylethyl(methyl)carbamothioic S-acid
CID 115170497
1-(2-cyclobutylethyl)-1-methylurea
CID 115168733
1,3-bis(2-cyclopentylethyl)-1,3-dimethylthiourea
CID 18716766
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
4-amino-N-(2-cyclohexylethyl)-N,4-dimethylpentanamide
CID 115157638
3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid
CID 120524978

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid (CID 115164079) is 3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid is CN(CCC1CCCC1)C(=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is DGGOYJCFOMBHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,12(16)17)11(15)14(3)9-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 115164079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).