2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid

C11H19NO4 — CID 141186077

IUPAC2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid
SMILESCC(C)(COC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,9(13)14)8-16-10(15)12-6-4-3-5-7-12/h3-8H2,1-2H3,(H,13,14)
InChIKeyIZDMIFUBQQKPAI-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds3

About 2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid

2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid (PubChem CID 141186077) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid
PubChem CID141186077
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid
SMILESCC(C)(COC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,9(13)14)8-16-10(15)12-6-4-3-5-7-12/h3-8H2,1-2H3,(H,13,14)
InChIKeyIZDMIFUBQQKPAI-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid
CID 21882576
3-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 58022752
1,4-Dicarbethoxypiperidine-4-carboxylic acid
CID 21709182
[3-[(2-Methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate
CID 54507528
3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-oxopropanoic acid
CID 58790396
3-(1-Propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid
CID 63876507
4-(3-Methoxy-3-oxopropoxy)piperidine-1-carboxylic acid
CID 90790270
4-[3-[(2-Methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid
CID 91550371
1-(2,2-Dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid
CID 118309756
4-Methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid
CID 118310183
1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate
CID 135376915
1-O-methyl 3-O-(piperidine-1-carbonyl) propanedioate
CID 137371628

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid (CID 141186077) is 2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid is CC(C)(COC(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid?
The InChIKey is IZDMIFUBQQKPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,9(13)14)8-16-10(15)12-6-4-3-5-7-12/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid?
2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(piperidine-1-carbonyloxy)propanoic acid is sourced from PubChem (CID 141186077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).