4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

C13H24N2O4 — CID 66001579

IUPAC4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCC1(C(=O)NCC(C)(O)CC(=O)O)CCNCC1
InChIInChI=1S/C13H24N2O4/c1-3-13(4-6-14-7-5-13)11(18)15-9-12(2,19)8-10(16)17/h14,19H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZCGHRSLMMDZPOF-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.11
Rot. Bonds6

About 4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66001579) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66001579
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCC1(C(=O)NCC(C)(O)CC(=O)O)CCNCC1
InChIInChI=1S/C13H24N2O4/c1-3-13(4-6-14-7-5-13)11(18)15-9-12(2,19)8-10(16)17/h14,19H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZCGHRSLMMDZPOF-UHFFFAOYSA-N
XLogP0.11
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)piperidine-4-carboxamide
CID 106188179
N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103461536
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946
4-ethyl-N-(3-methylpentan-3-yl)piperidine-4-carboxamide
CID 106328694
2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79798379
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895
2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161716
4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527342
N-(2-hydroxy-2-methylpropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042041
3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 66003003
3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid
CID 66003959
3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid
CID 63128579

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 66001579) is 4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is CCC1(C(=O)NCC(C)(O)CC(=O)O)CCNCC1.
What is the InChIKey of 4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is ZCGHRSLMMDZPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-13(4-6-14-7-5-13)11(18)15-9-12(2,19)8-10(16)17/h14,19H,3-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66001579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).