3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid

C14H22N2O4 — CID 43172733

IUPAC3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C14H22N2O4/c1-9(7-12(17)18)15-13(19)11-3-2-6-16(8-11)14(20)10-4-5-10/h9-11H,2-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyCYJVEPZAXJIOHG-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.61
Rot. Bonds5

About 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid

3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid (PubChem CID 43172733) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
PubChem CID43172733
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C14H22N2O4/c1-9(7-12(17)18)15-13(19)11-3-2-6-16(8-11)14(20)10-4-5-10/h9-11H,2-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyCYJVEPZAXJIOHG-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 53216017
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
1-(cyclopropanecarbonyl)-N-(1-hydroxy-3-methylbutan-2-yl)piperidine-3-carboxamide
CID 79252734
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
1-(cyclopropanecarbonyl)-N-(1-hydroxy-4-methylpentan-3-yl)piperidine-3-carboxamide
CID 103750955
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227
1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 47088084
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
1-(cyclopropanecarbonyl)-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43500435
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide
CID 75376817
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid (CID 43172733) is 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid?
The InChIKey is CYJVEPZAXJIOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(7-12(17)18)15-13(19)11-3-2-6-16(8-11)14(20)10-4-5-10/h9-11H,2-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid?
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid has a molecular weight of 282.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 43172733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).