1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid

C14H22N2O4 — CID 138480085

IUPAC1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid
SMILESO=C(NCC1CCCC1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O4/c17-12(15-9-10-3-1-2-4-10)13(18)16-7-5-11(6-8-16)14(19)20/h10-11H,1-9H2,(H,15,17)(H,19,20)
InChIKeyJVAIDVCQDDVGRN-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.62
Rot. Bonds3

About 1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid

1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid (PubChem CID 138480085) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid
PubChem CID138480085
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid
SMILESO=C(NCC1CCCC1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O4/c17-12(15-9-10-3-1-2-4-10)13(18)16-7-5-11(6-8-16)14(19)20/h10-11H,1-9H2,(H,15,17)(H,19,20)
InChIKeyJVAIDVCQDDVGRN-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106005313
3-[[1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
CID 145399512
1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 102736752
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid
CID 62657428
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
piperidine-1,4-dicarboxylic acid
CID 18542445

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid (CID 138480085) is 1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid is O=C(NCC1CCCC1)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid?
The InChIKey is JVAIDVCQDDVGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12(15-9-10-3-1-2-4-10)13(18)16-7-5-11(6-8-16)14(19)20/h10-11H,1-9H2,(H,15,17)(H,19,20).
What are the key properties of 1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid?
1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 138480085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).