7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid

C15H28N2O3 — CID 115437669

IUPAC7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
SMILESNCC1(C(=O)NCCCCCCC(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O3/c16-12-15(9-5-3-6-10-15)14(20)17-11-7-2-1-4-8-13(18)19/h1-12,16H2,(H,17,20)(H,18,19)
InChIKeyWJLSUIDVBSLYRT-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.05
Rot. Bonds9

About 7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid

7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid (PubChem CID 115437669) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
PubChem CID115437669
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
SMILESNCC1(C(=O)NCCCCCCC(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O3/c16-12-15(9-5-3-6-10-15)14(20)17-11-7-2-1-4-8-13(18)19/h1-12,16H2,(H,17,20)(H,18,19)
InChIKeyWJLSUIDVBSLYRT-UHFFFAOYSA-N
XLogP2.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.05
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

4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
7-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]heptanoic acid
CID 115441839
6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 115441822
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 113327212
1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
1-(aminomethyl)-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106011677

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid?
The IUPAC name of 7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid (CID 115437669) is 7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid?
The canonical SMILES for 7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid is NCC1(C(=O)NCCCCCCC(=O)O)CCCCC1.
What is the InChIKey of 7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid?
The InChIKey is WJLSUIDVBSLYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c16-12-15(9-5-3-6-10-15)14(20)17-11-7-2-1-4-8-13(18)19/h1-12,16H2,(H,17,20)(H,18,19).
What are the key properties of 7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid?
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid is sourced from PubChem (CID 115437669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).