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

C12H22N2O3 — CID 115435126

IUPAC4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1(CN)CCCC1
InChIInChI=1S/C12H22N2O3/c1-14(8-4-5-10(15)16)11(17)12(9-13)6-2-3-7-12/h2-9,13H2,1H3,(H,15,16)
InChIKeyDSCSMIHTUDCVKS-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds6

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

4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid (PubChem CID 115435126) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid
PubChem CID115435126
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1(CN)CCCC1
InChIInChI=1S/C12H22N2O3/c1-14(8-4-5-10(15)16)11(17)12(9-13)6-2-3-7-12/h2-9,13H2,1H3,(H,15,16)
InChIKeyDSCSMIHTUDCVKS-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylcyclopentane-1-carboxamide
CID 63695176
1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide
CID 115434739
1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
CID 115437189
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
1-(aminomethyl)-N-(2-cyclopentylethyl)-N-methylcyclobutane-1-carboxamide
CID 115183587
4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
CID 113280677
1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide
CID 115441330
2-[[1-(aminomethyl)cycloheptanecarbonyl]-(carboxymethyl)amino]acetic acid
CID 115444111
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
CID 82847028
1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119689145
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid (CID 115435126) is 4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C1(CN)CCCC1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid?
The InChIKey is DSCSMIHTUDCVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(8-4-5-10(15)16)11(17)12(9-13)6-2-3-7-12/h2-9,13H2,1H3,(H,15,16).
What are the key properties of 4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid?
4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid is sourced from PubChem (CID 115435126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).