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

C10H17NO3 — CID 61313231

IUPAC1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC1CCOC1
InChIInChI=1S/C10H17NO3/c12-10(13)9-2-1-4-11(9)6-8-3-5-14-7-8/h8-9H,1-7H2,(H,12,13)
InChIKeyGBXGIBUISAIGMS-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.57
Rot. Bonds3

About 1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid

1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 61313231) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID61313231
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC1CCOC1
InChIInChI=1S/C10H17NO3/c12-10(13)9-2-1-4-11(9)6-8-3-5-14-7-8/h8-9H,1-7H2,(H,12,13)
InChIKeyGBXGIBUISAIGMS-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
tert-butyl (2R)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylate
CID 80709054
tert-butyl (2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylate
CID 81002974
3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67803073
methyl 1-(oxan-4-ylmethyl)pyrrolidine-2-carboxylate
CID 62385917
1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 62823489
1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone
CID 63845675
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
(2R)-2-(difluoromethyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine
CID 129348729
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
CID 43441213
2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 62386446

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid (CID 61313231) is 1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CC1CCOC1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GBXGIBUISAIGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(13)9-2-1-4-11(9)6-8-3-5-14-7-8/h8-9H,1-7H2,(H,12,13).
What are the key properties of 1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61313231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).