1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H25N3O3 — CID 115434096

IUPAC1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESNC1CCCCC1NC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H25N3O3/c15-10-5-1-2-6-11(10)17-13(20)16-9-14(12(18)19)7-3-4-8-14/h10-11H,1-9,15H2,(H,18,19)(H2,16,17,20)
InChIKeyHVJMRUCAVSPBMA-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.20
Rot. Bonds4

About 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434096) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434096
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESNC1CCCCC1NC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H25N3O3/c15-10-5-1-2-6-11(10)17-13(20)16-9-14(12(18)19)7-3-4-8-14/h10-11H,1-9,15H2,(H,18,19)(H2,16,17,20)
InChIKeyHVJMRUCAVSPBMA-UHFFFAOYSA-N
XLogP1.20
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(2-propylcyclopropyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114111546
1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436966
1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436439
1-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446606
1-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311471
1-(2-aminocycloheptyl)-3-propylurea
CID 63258563
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433058
1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820
1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446550
1-[(thian-2-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115434461

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115434096) is 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is NC1CCCCC1NC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HVJMRUCAVSPBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-10-5-1-2-6-11(10)17-13(20)16-9-14(12(18)19)7-3-4-8-14/h10-11H,1-9,15H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).