2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

C15H27N3O3 — CID 64816503

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCN1CCCC1CNC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H27N3O3/c1-2-18-9-5-6-11(18)10-16-15(21)17-13-8-4-3-7-12(13)14(19)20/h11-13H,2-10H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyNATPJZJQQKEJMO-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.41
Rot. Bonds5

About 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 64816503) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID64816503
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCN1CCCC1CNC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H27N3O3/c1-2-18-9-5-6-11(18)10-16-15(21)17-13-8-4-3-7-12(13)14(19)20/h11-13H,2-10H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyNATPJZJQQKEJMO-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-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

4-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511391
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-[(4-methylcyclohexyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816374
2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815964
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757650
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64564669
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433973

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 64816503) is 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is CCN1CCCC1CNC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is NATPJZJQQKEJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-18-9-5-6-11(18)10-16-15(21)17-13-8-4-3-7-12(13)14(19)20/h11-13H,2-10H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).