2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid

C13H24N2O4 — CID 79804147

IUPAC2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N1CCCCC1CO)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-13(4-2,11(17)18)14-12(19)15-8-6-5-7-10(15)9-16/h10,16H,3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyQFUGMWMQUBDDDJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.19
Rot. Bonds5

About 2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid

2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 79804147) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID79804147
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N1CCCCC1CO)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-13(4-2,11(17)18)14-12(19)15-8-6-5-7-10(15)9-16/h10,16H,3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyQFUGMWMQUBDDDJ-UHFFFAOYSA-N
XLogP1.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]-2-methylpropanoic acid
CID 116635696
2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 61409614
2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61267134
2-[(2-ethylazepane-1-carbonyl)amino]-2-methylbutanoic acid
CID 113441850
2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722
2-[(2-ethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801729
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
2-amino-2-ethyl-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116634490
2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid
CID 79813522
cis-(1R,3S)-3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106320170
2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 43429060

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid (CID 79804147) is 2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid is CCC(CC)(NC(=O)N1CCCCC1CO)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is QFUGMWMQUBDDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-13(4-2,11(17)18)14-12(19)15-8-6-5-7-10(15)9-16/h10,16H,3-9H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 79804147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).