4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H23N3O4 — CID 79524794

IUPAC4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESNC(=O)C1CCCN1C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23N3O4/c15-12(18)11-2-1-7-17(11)14(21)16-8-9-3-5-10(6-4-9)13(19)20/h9-11H,1-8H2,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyRAXHBTYAHZURDG-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.54
Rot. Bonds4

About 4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79524794) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79524794
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESNC(=O)C1CCCN1C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23N3O4/c15-12(18)11-2-1-7-17(11)14(21)16-8-9-3-5-10(6-4-9)13(19)20/h9-11H,1-8H2,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyRAXHBTYAHZURDG-UHFFFAOYSA-N
XLogP0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55227623
(2S)-1-(thian-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113363940
1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 107414526
(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107838232
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670104
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525817
1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107297455
(2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107297606
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174648
1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 62823489
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79524794) is 4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is NC(=O)C1CCCN1C(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RAXHBTYAHZURDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c15-12(18)11-2-1-7-17(11)14(21)16-8-9-3-5-10(6-4-9)13(19)20/h9-11H,1-8H2,(H2,15,18)(H,16,21)(H,19,20).
What are the key properties of 4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79524794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).