2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid

C13H24N2O3 — CID 65223942

IUPAC2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C1CCC(N)CC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-3-10(13(17)18)8-15-12(16)9-4-6-11(14)7-5-9/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyOCHVGMWROOLIBI-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds6

About 2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid

2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid (PubChem CID 65223942) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid
PubChem CID65223942
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C1CCC(N)CC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-3-10(13(17)18)8-15-12(16)9-4-6-11(14)7-5-9/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyOCHVGMWROOLIBI-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid (CID 65223942) is 2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)C1CCC(N)CC1)C(=O)O.
What is the InChIKey of 2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid?
The InChIKey is OCHVGMWROOLIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-10(13(17)18)8-15-12(16)9-4-6-11(14)7-5-9/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid?
2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-aminocyclohexanecarbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65223942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).