methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate

C11H19NO4 — CID 103430283

IUPACmethyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C(C)(C)O)C1
InChIInChI=1S/C11H19NO4/c1-11(2,15)10(14)12-6-4-5-8(7-12)9(13)16-3/h8,15H,4-7H2,1-3H3
InChIKeyBDDAZJJLAVVXSC-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.17
Rot. Bonds2

About methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate

methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate (PubChem CID 103430283) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
PubChem CID103430283
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C(C)(C)O)C1
InChIInChI=1S/C11H19NO4/c1-11(2,15)10(14)12-6-4-5-8(7-12)9(13)16-3/h8,15H,4-7H2,1-3H3
InChIKeyBDDAZJJLAVVXSC-UHFFFAOYSA-N
XLogP0.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl (3S)-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-3-carboxylate
CID 103310501
methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
CID 124508484
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535241
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-(2-bromo-3-methylbutanoyl)piperidine-3-carboxylate
CID 115534218
methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate
CID 113329988
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
methyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-3-carboxylate
CID 108754829
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate (CID 103430283) is methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)C(C)(C)O)C1.
What is the InChIKey of methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate?
The InChIKey is BDDAZJJLAVVXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,15)10(14)12-6-4-5-8(7-12)9(13)16-3/h8,15H,4-7H2,1-3H3.
What are the key properties of methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate?
methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 103430283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).