3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid

C11H20N2O3 — CID 61194702

IUPAC3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCCC1CCCCN1C(=O)NCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-9-5-3-4-8-13(9)11(16)12-7-6-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyGPBAYUOGASSIAQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.44
Rot. Bonds4

About 3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid

3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 61194702) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID61194702
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCCC1CCCCN1C(=O)NCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-9-5-3-4-8-13(9)11(16)12-7-6-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyGPBAYUOGASSIAQ-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-ethylazepane-1-carbonyl)amino]butanoic acid
CID 104690969
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841
4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540703
6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464
2-ethyl-N-(methoxymethyl)piperidine-1-carboxamide
CID 108893599
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
4-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 113441843
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
3-[(2-ethylazepane-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113441841
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid (CID 61194702) is 3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid is CCC1CCCCN1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is GPBAYUOGASSIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-9-5-3-4-8-13(9)11(16)12-7-6-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid?
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61194702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).