5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid

C14H26N2O3 — CID 104685703

IUPAC5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C1(CN)CCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-11(12(17)18)6-5-9-16-13(19)14(10-15)7-3-2-4-8-14/h11H,2-10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyPANKNRZTHWMRCS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds7

About 5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid

5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid (PubChem CID 104685703) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
PubChem CID104685703
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C1(CN)CCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-11(12(17)18)6-5-9-16-13(19)14(10-15)7-3-2-4-8-14/h11H,2-10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyPANKNRZTHWMRCS-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 112547802
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 106826432
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 106011493
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
CID 112547772
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid (CID 104685703) is 5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid is CC(CCCNC(=O)C1(CN)CCCCC1)C(=O)O.
What is the InChIKey of 5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid?
The InChIKey is PANKNRZTHWMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(12(17)18)6-5-9-16-13(19)14(10-15)7-3-2-4-8-14/h11H,2-10,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid?
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 104685703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).