3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid

C11H19NO4 — CID 107070014

IUPAC3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
SMILESCC(C)OC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C11H19NO4/c1-7(2)16-11(15)12-6-4-5-8(3)9(12)10(13)14/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyLKQSNWBWCMGUPM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds2

About 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid

3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid (PubChem CID 107070014) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
PubChem CID107070014
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
SMILESCC(C)OC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C11H19NO4/c1-7(2)16-11(15)12-6-4-5-8(3)9(12)10(13)14/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyLKQSNWBWCMGUPM-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 163339159
propan-2-yl 2-methylpyrrolidine-1-carboxylate
CID 58164988
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069683
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
3-methyl-1-prop-2-ynoylpiperidine-2-carboxylic acid
CID 107069872
1-[cyclopentyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071305
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 66624873

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid (CID 107070014) is 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid is CC(C)OC(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is LKQSNWBWCMGUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)16-11(15)12-6-4-5-8(3)9(12)10(13)14/h7-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid?
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107070014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).