3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid

C13H24N2O3 — CID 81066653

IUPAC3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)NC1CCCCC1)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-10(8-12(16)17)9-14-13(18)15-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyKKHIJHIWCXOMTG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds6

About 3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid

3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid (PubChem CID 81066653) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid
PubChem CID81066653
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)NC1CCCCC1)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-10(8-12(16)17)9-14-13(18)15-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyKKHIJHIWCXOMTG-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(oxan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 81069079
3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 81069457
3-[[(2-hydroxycyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 81070037
3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
CID 81069465
3-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]pentanoic acid
CID 82728333
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
CID 66167145
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
3-[(azepane-2-carbonylamino)methyl]pentanoic acid
CID 81072934
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid (CID 81066653) is 3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid is CCC(CNC(=O)NC1CCCCC1)CC(=O)O.
What is the InChIKey of 3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is KKHIJHIWCXOMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-10(8-12(16)17)9-14-13(18)15-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid?
3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 81066653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).