2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid

C10H17NO3 — CID 115103179

IUPAC2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(CC2CCOC2)CCCN1
InChIInChI=1S/C10H17NO3/c12-9(13)10(3-1-4-11-10)6-8-2-5-14-7-8/h8,11H,1-7H2,(H,12,13)
InChIKeyHHECYXIMVIRISE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.62
Rot. Bonds3

About 2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid

2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 115103179) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID115103179
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(CC2CCOC2)CCCN1
InChIInChI=1S/C10H17NO3/c12-9(13)10(3-1-4-11-10)6-8-2-5-14-7-8/h8,11H,1-7H2,(H,12,13)
InChIKeyHHECYXIMVIRISE-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 11997713
2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 115103189
2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
CID 115103561
1-(oxolan-3-ylmethyl)cyclobutan-1-ol
CID 115073595
2-(thian-2-ylmethyl)piperidine-2-carboxylic acid
CID 115103659
2-(oxolan-3-ylmethyl)-2-propan-2-ylpiperidine
CID 117271154
2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 117272111
2-(cyclopropylmethyl)piperidine-2-carboxamide
CID 84658665
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385
1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 83072608
2-prop-2-ynylpyrrolidine-2-carboxylic acid;hydrochloride
CID 53398204
2-(2-methylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 83080312

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid (CID 115103179) is 2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1(CC2CCOC2)CCCN1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HHECYXIMVIRISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9(13)10(3-1-4-11-10)6-8-2-5-14-7-8/h8,11H,1-7H2,(H,12,13).
What are the key properties of 2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115103179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).