3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid

C12H18N2O4 — CID 83192342

IUPAC3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1CCC(=O)NC1)C1CC1
InChIInChI=1S/C12H18N2O4/c15-10-4-1-8(7-13-10)12(18)14(9-2-3-9)6-5-11(16)17/h8-9H,1-7H2,(H,13,15)(H,16,17)
InChIKeyKZUWJVQCUYGMBR-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.02
Rot. Bonds5

About 3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid

3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid (PubChem CID 83192342) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid
PubChem CID83192342
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1CCC(=O)NC1)C1CC1
InChIInChI=1S/C12H18N2O4/c15-10-4-1-8(7-13-10)12(18)14(9-2-3-9)6-5-11(16)17/h8-9H,1-7H2,(H,13,15)(H,16,17)
InChIKeyKZUWJVQCUYGMBR-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 78971176
6-oxo-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119825568
3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141369
3-[cyclopropyl-[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141368
N-ethyl-6-oxo-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 83192036
N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-ylpiperidine-3-carboxamide
CID 83193597
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
3-[tert-butyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 83191685
3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid
CID 106892333
N-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728719
3-[cyclopropyl-(5-oxo-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 63004828
2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid
CID 113318991

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid (CID 83192342) is 3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid is O=C(O)CCN(C(=O)C1CCC(=O)NC1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid?
The InChIKey is KZUWJVQCUYGMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-10-4-1-8(7-13-10)12(18)14(9-2-3-9)6-5-11(16)17/h8-9H,1-7H2,(H,13,15)(H,16,17).
What are the key properties of 3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 83192342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).