3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid

C11H20N2O3 — CID 53216017

IUPAC3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCN(C)C1
InChIInChI=1S/C11H20N2O3/c1-8(6-10(14)15)12-11(16)9-4-3-5-13(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyPYKCEFAPKNLZIZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds4

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

3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 53216017) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
PubChem CID53216017
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCN(C)C1
InChIInChI=1S/C11H20N2O3/c1-8(6-10(14)15)12-11(16)9-4-3-5-13(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyPYKCEFAPKNLZIZ-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 131154627
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid
CID 116920779
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99970521
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 99970401
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid (CID 53216017) is 3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCCN(C)C1.
What is the InChIKey of 3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is PYKCEFAPKNLZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(6-10(14)15)12-11(16)9-4-3-5-13(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid?
3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 53216017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).