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

C12H22N2O4 — CID 66176994

IUPAC3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCC1CCCN(C(=O)NCC(C)(O)C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-3-9-5-4-6-14(7-9)11(17)13-8-12(2,18)10(15)16/h9,18H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyKVMDFJUVQVISPM-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds4

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

3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66176994) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66176994
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCC1CCCN(C(=O)NCC(C)(O)C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-3-9-5-4-6-14(7-9)11(17)13-8-12(2,18)10(15)16/h9,18H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyKVMDFJUVQVISPM-UHFFFAOYSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 106670648
1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312418
(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
CID 143486954
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 107228226
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
CID 62677015
3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172435
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
CID 66177206
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174648

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66176994) is 3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CCC1CCCN(C(=O)NCC(C)(O)C(=O)O)C1.
What is the InChIKey of 3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is KVMDFJUVQVISPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-9-5-4-6-14(7-9)11(17)13-8-12(2,18)10(15)16/h9,18H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66176994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).