2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H22N2O5 — CID 64816122

IUPAC2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)C1CCCN1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H22N2O5/c1-21-13(19)11-7-4-8-16(11)14(20)15-10-6-3-2-5-9(10)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18)
InChIKeyRUEPBWXGQBPZDK-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.98
Rot. Bonds3

About 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64816122) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64816122
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)C1CCCN1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H22N2O5/c1-21-13(19)11-7-4-8-16(11)14(20)15-10-6-3-2-5-9(10)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18)
InChIKeyRUEPBWXGQBPZDK-UHFFFAOYSA-N
XLogP0.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]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-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 115535124
3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535092
2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816386
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962999
4-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66238964
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61199397
(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79001469
1-(cyclohexylcarbamoyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(cyclohexylcarbamoyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate
CID 161371351
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63998601
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64816122) is 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is COC(=O)C1CCCN1C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RUEPBWXGQBPZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-21-13(19)11-7-4-8-16(11)14(20)15-10-6-3-2-5-9(10)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18).
What are the key properties of 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).