1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid

C9H17NO3 — CID 138632226

IUPAC1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid
SMILESCCN1CCCCC1(CO)C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-10-6-4-3-5-9(10,7-11)8(12)13/h11H,2-7H2,1H3,(H,12,13)
InChIKeyUNMLYGOSUOJWLH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.31
Rot. Bonds3

About 1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid

1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid (PubChem CID 138632226) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid
PubChem CID138632226
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid
SMILESCCN1CCCCC1(CO)C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-10-6-4-3-5-9(10,7-11)8(12)13/h11H,2-7H2,1H3,(H,12,13)
InChIKeyUNMLYGOSUOJWLH-UHFFFAOYSA-N
XLogP0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 83080106
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(3-methylbut-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978657
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979055
2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199
1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080806
1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid (CID 138632226) is 1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid is CCN1CCCCC1(CO)C(=O)O.
What is the InChIKey of 1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid?
The InChIKey is UNMLYGOSUOJWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-10-6-4-3-5-9(10,7-11)8(12)13/h11H,2-7H2,1H3,(H,12,13).
What are the key properties of 1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid?
1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 138632226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).