4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid

C12H23NO2 — CID 114430632

IUPAC4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(CC(C)C)C(C(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-4-10-5-6-13(8-9(2)3)11(7-10)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyKJYDMBNLXKXLFD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds4

About 4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid

4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid (PubChem CID 114430632) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
PubChem CID114430632
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(CC(C)C)C(C(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-4-10-5-6-13(8-9(2)3)11(7-10)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyKJYDMBNLXKXLFD-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)azetidine-2-carboxylic acid
CID 22132132
4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid
CID 114430814
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
CID 114431447
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431254
4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
CID 107007902
4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid
CID 114430684

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid (CID 114430632) is 4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid is CCC1CCN(CC(C)C)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid?
The InChIKey is KJYDMBNLXKXLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-10-5-6-13(8-9(2)3)11(7-10)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid?
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114430632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).