3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid

C13H24N2O3 — CID 81069465

IUPAC3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)NCC1CCCC1)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-10(7-12(16)17)8-14-13(18)15-9-11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyCPCSELOMHBXJEB-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.98
Rot. Bonds7

About 3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid

3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid (PubChem CID 81069465) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
PubChem CID81069465
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)NCC1CCCC1)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-10(7-12(16)17)8-14-13(18)15-9-11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyCPCSELOMHBXJEB-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid
CID 81066653
4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963976
3-[[(2-hydroxycyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 81070037
3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 81069457
3-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81067819
3-[(1,4-dioxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 81069548
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
3-[(thiolane-2-carbonylamino)methyl]pentanoic acid
CID 81066125
3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid
CID 81073402
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
3-[(2-methylprop-2-enylcarbamoylamino)methyl]pentanoic acid
CID 114618121

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid (CID 81069465) is 3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid is CCC(CNC(=O)NCC1CCCC1)CC(=O)O.
What is the InChIKey of 3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is CPCSELOMHBXJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-10(7-12(16)17)8-14-13(18)15-9-11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid?
3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 81069465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).