3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid

C16H27N3O4 — CID 119362266

IUPAC3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H27N3O4/c1-18(10-8-14(20)21)15(22)12-5-4-9-19(11-12)16(23)17-13-6-2-3-7-13/h12-13H,2-11H2,1H3,(H,17,23)(H,20,21)
InChIKeyLSUCDXIFOUKEJH-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.28
Rot. Bonds5

About 3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid

3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid (PubChem CID 119362266) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
PubChem CID119362266
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H27N3O4/c1-18(10-8-14(20)21)15(22)12-5-4-9-19(11-12)16(23)17-13-6-2-3-7-13/h12-13H,2-11H2,1H3,(H,17,23)(H,20,21)
InChIKeyLSUCDXIFOUKEJH-UHFFFAOYSA-N
XLogP1.28
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 60988420
2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 119358258
3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 110837310
3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119233185
N-cyclohexyl-3-(dimethylamino)piperidine-1-carboxamide
CID 115613906
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid (CID 119362266) is 3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)C1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of 3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is LSUCDXIFOUKEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-18(10-8-14(20)21)15(22)12-5-4-9-19(11-12)16(23)17-13-6-2-3-7-13/h12-13H,2-11H2,1H3,(H,17,23)(H,20,21).
What are the key properties of 3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119362266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).