4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C15H24N2O4 — CID 120673700

IUPAC4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESNC(=O)C1(CNC(=O)C2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C15H24N2O4/c16-14(21)15(7-1-2-8-15)9-17-12(18)10-3-5-11(6-4-10)13(19)20/h10-11H,1-9H2,(H2,16,21)(H,17,18)(H,19,20)
InChIKeyCNCSKPGETYUXJB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.04
Rot. Bonds5

About 4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673700) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673700
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESNC(=O)C1(CNC(=O)C2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C15H24N2O4/c16-14(21)15(7-1-2-8-15)9-17-12(18)10-3-5-11(6-4-10)13(19)20/h10-11H,1-9H2,(H2,16,21)(H,17,18)(H,19,20)
InChIKeyCNCSKPGETYUXJB-UHFFFAOYSA-N
XLogP1.04
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114096792
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[(1-hydroxycyclopentyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005811
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
1-[(thiolane-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115432922
1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436439

Frequently Asked Questions

What is the IUPAC name of 4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673700) is 4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is NC(=O)C1(CNC(=O)C2CCC(C(=O)O)CC2)CCCC1.
What is the InChIKey of 4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is CNCSKPGETYUXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c16-14(21)15(7-1-2-8-15)9-17-12(18)10-3-5-11(6-4-10)13(19)20/h10-11H,1-9H2,(H2,16,21)(H,17,18)(H,19,20).
What are the key properties of 4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).