4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid

C11H20N2O3 — CID 66009609

IUPAC4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCC(N)C1
InChIInChI=1S/C11H20N2O3/c1-13(6-2-3-10(14)15)11(16)8-4-5-9(12)7-8/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyIFJGTLVJGZYLMM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds5

About 4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid

4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid (PubChem CID 66009609) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
PubChem CID66009609
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCC(N)C1
InChIInChI=1S/C11H20N2O3/c1-13(6-2-3-10(14)15)11(16)8-4-5-9(12)7-8/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyIFJGTLVJGZYLMM-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
3-amino-N-hept-6-enyl-N-methylcyclopentane-1-carboxamide
CID 119791641
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide
CID 66033059
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclopentane-1-carboxamide
CID 119798087
3-amino-N-(2-hydroxypropyl)-N-methylcyclopentane-1-carboxamide
CID 66007556
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 64823823
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid
CID 79207976
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 97123264

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid (CID 66009609) is 4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C1CCC(N)C1.
What is the InChIKey of 4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid?
The InChIKey is IFJGTLVJGZYLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13(6-2-3-10(14)15)11(16)8-4-5-9(12)7-8/h8-9H,2-7,12H2,1H3,(H,14,15).
What are the key properties of 4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid?
4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 66009609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).