3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid

C15H26N2O3 — CID 115435232

IUPAC3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid
SMILESNCC1(C(=O)N2CCC(CCC(=O)O)CC2)CCCC1
InChIInChI=1S/C15H26N2O3/c16-11-15(7-1-2-8-15)14(20)17-9-5-12(6-10-17)3-4-13(18)19/h12H,1-11,16H2,(H,18,19)
InChIKeyHQCFZFZQCHPXQY-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.61
Rot. Bonds5

About 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid

3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid (PubChem CID 115435232) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid
PubChem CID115435232
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid
SMILESNCC1(C(=O)N2CCC(CCC(=O)O)CC2)CCCC1
InChIInChI=1S/C15H26N2O3/c16-11-15(7-1-2-8-15)14(20)17-9-5-12(6-10-17)3-4-13(18)19/h12H,1-11,16H2,(H,18,19)
InChIKeyHQCFZFZQCHPXQY-UHFFFAOYSA-N
XLogP1.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid
CID 63719576
3-[1-(3-Amino-3-oxopropyl)piperidin-4-yl]propanoic acid
CID 62215681
1-[[4-(Aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 86602119
3-(1-Acetylpiperidin-4-yl)-2,2-dimethylpropanoic acid
CID 90240603
7-(3-Azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 178035502
1-[3-(Cyclopentanecarbonylamino)propanoyl]piperidine-4-carboxylic acid
CID 43170473
1-[3-(Cyclopentanecarbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 43171083
6-[(1-Acetylpiperidine-3-carbonyl)amino]hexanoic acid
CID 43352927
6-[3-(Cyclopentanecarbonylamino)propanoylamino]hexanoic acid
CID 43352953
1-[3-(Cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355887
1-[2-(3-Carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43385417
6-(3-Carbamoylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447161

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid (CID 115435232) is 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid is NCC1(C(=O)N2CCC(CCC(=O)O)CC2)CCCC1.
What is the InChIKey of 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid?
The InChIKey is HQCFZFZQCHPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c16-11-15(7-1-2-8-15)14(20)17-9-5-12(6-10-17)3-4-13(18)19/h12H,1-11,16H2,(H,18,19).
What are the key properties of 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid?
3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 115435232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).