3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid

C13H24N2O3 — CID 83055756

IUPAC3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCCCC1CCCCN1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-11-7-4-5-8-15(11)13(18)14-10(2)9-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyNMJSFCOQPHQKBR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds5

About 3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid

3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 83055756) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID83055756
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCCCC1CCCCN1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-11-7-4-5-8-15(11)13(18)14-10(2)9-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyNMJSFCOQPHQKBR-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 83055439
(2R)-3-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055978
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107828734
2-hydroxy-3-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055675
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63843411
3-(2-propylpiperidin-1-yl)butanoic acid
CID 83055410
3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055352
2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid
CID 113466834
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 61191119
3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83056051

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid (CID 83055756) is 3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid is CCCC1CCCCN1C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is NMJSFCOQPHQKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-6-11-7-4-5-8-15(11)13(18)14-10(2)9-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid?
3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 83055756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).