1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid

C9H12N2O3 — CID 60873081

IUPAC1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1cnoc1
InChIInChI=1S/C9H12N2O3/c12-9(13)8-2-1-3-11(8)5-7-4-10-14-6-7/h4,6,8H,1-3,5H2,(H,12,13)
InChIKeyRKWQCEGCOIVUFZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.72
Rot. Bonds3

About 1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid

1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 60873081) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID60873081
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1cnoc1
InChIInChI=1S/C9H12N2O3/c12-9(13)8-2-1-3-11(8)5-7-4-10-14-6-7/h4,6,8H,1-3,5H2,(H,12,13)
InChIKeyRKWQCEGCOIVUFZ-UHFFFAOYSA-N
XLogP0.72
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82470543
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056029
1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056433
1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3265139
1-[(3-chloro-5-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036514

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid (CID 60873081) is 1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1cnoc1.
What is the InChIKey of 1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RKWQCEGCOIVUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-9(13)8-2-1-3-11(8)5-7-4-10-14-6-7/h4,6,8H,1-3,5H2,(H,12,13).
What are the key properties of 1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid?
1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-4-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 60873081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).