1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

C13H25N3O3 — CID 113309363

IUPAC1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCN(C)CCN(C)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H25N3O3/c1-15(2)8-9-16(3)12(19)14-10-13(11(17)18)6-4-5-7-13/h4-10H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyANECOAXUJJZSPM-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.83
Rot. Bonds6

About 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309363) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113309363
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCN(C)CCN(C)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H25N3O3/c1-15(2)8-9-16(3)12(19)14-10-13(11(17)18)6-4-5-7-13/h4-10H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyANECOAXUJJZSPM-UHFFFAOYSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic 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

1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436923
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443056
1-[[[2-methoxyethyl(methyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444756
1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107201761
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115437002
1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434214
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769
1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446540
1-[[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434442
1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451070
1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446462

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 113309363) is 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is CN(C)CCN(C)C(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ANECOAXUJJZSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-15(2)8-9-16(3)12(19)14-10-13(11(17)18)6-4-5-7-13/h4-10H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).