4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid

C11H20N2O3 — CID 115435094

IUPAC4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
SMILESNCC1(C(=O)NCCCC(=O)O)CCCC1
InChIInChI=1S/C11H20N2O3/c12-8-11(5-1-2-6-11)10(16)13-7-3-4-9(14)15/h1-8,12H2,(H,13,16)(H,14,15)
InChIKeyDIWRIFXSCMGLHM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.49
Rot. Bonds6

About 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid

4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid (PubChem CID 115435094) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
PubChem CID115435094
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
SMILESNCC1(C(=O)NCCCC(=O)O)CCCC1
InChIInChI=1S/C11H20N2O3/c12-8-11(5-1-2-6-11)10(16)13-7-3-4-9(14)15/h1-8,12H2,(H,13,16)(H,14,15)
InChIKeyDIWRIFXSCMGLHM-UHFFFAOYSA-N
XLogP0.49
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.49
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

7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
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-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide
CID 115739260
1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722
1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 113327212
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
1-(aminomethyl)-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106011677
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid?
The IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid (CID 115435094) is 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid is NCC1(C(=O)NCCCC(=O)O)CCCC1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid?
The InChIKey is DIWRIFXSCMGLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-8-11(5-1-2-6-11)10(16)13-7-3-4-9(14)15/h1-8,12H2,(H,13,16)(H,14,15).
What are the key properties of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid?
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 115435094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).