5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid

C12H21NO3 — CID 165449963

IUPAC5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid
SMILESCC1CC(C2CNCC(C(=O)O)C2)CCO1
InChIInChI=1S/C12H21NO3/c1-8-4-9(2-3-16-8)10-5-11(12(14)15)7-13-6-10/h8-11,13H,2-7H2,1H3,(H,14,15)
InChIKeyGYHKZNRLKJOUKH-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.11
Rot. Bonds2

About 5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid

5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid (PubChem CID 165449963) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid
PubChem CID165449963
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid
SMILESCC1CC(C2CNCC(C(=O)O)C2)CCO1
InChIInChI=1S/C12H21NO3/c1-8-4-9(2-3-16-8)10-5-11(12(14)15)7-13-6-10/h8-11,13H,2-7H2,1H3,(H,14,15)
InChIKeyGYHKZNRLKJOUKH-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyloxane-4-carboxylic acid
CID 3729256
5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid
CID 165455355
5-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 165455349
(3S,5R)-5-fluoropiperidine-3-carboxylic acid
CID 45090389
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid
CID 83816195
3-[(2-methyloxan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 65066194
(2S,3aR,5R,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-5-carboxylic acid
CID 125494307
2-methyl-4-(oxiran-2-yl)oxane
CID 126541590
(3S,5S)-5-methyloxolane-3-carboxylic acid
CID 97300455
2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-3-carboxylic acid
CID 83817432
bicyclo[4.1.0]heptane-3-carboxylic acid
CID 13203182
(5S)-5-aminopiperidine-3-carboxylic acid
CID 66697162

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid (CID 165449963) is 5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid is CC1CC(C2CNCC(C(=O)O)C2)CCO1.
What is the InChIKey of 5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid?
The InChIKey is GYHKZNRLKJOUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-4-9(2-3-16-8)10-5-11(12(14)15)7-13-6-10/h8-11,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid?
5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyloxan-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 165449963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).