2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid

C10H14N2O3 — CID 61372299

IUPAC2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1cnoc1
InChIInChI=1S/C10H14N2O3/c13-10(14)4-9-2-1-3-12(9)6-8-5-11-15-7-8/h5,7,9H,1-4,6H2,(H,13,14)
InChIKeyQXEFGPWWJLFYPY-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.11
Rot. Bonds4

About 2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid

2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61372299) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid
PubChem CID61372299
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1cnoc1
InChIInChI=1S/C10H14N2O3/c13-10(14)4-9-2-1-3-12(9)6-8-5-11-15-7-8/h5,7,9H,1-4,6H2,(H,13,14)
InChIKeyQXEFGPWWJLFYPY-UHFFFAOYSA-N
XLogP1.11
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid (CID 61372299) is 2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1cnoc1.
What is the InChIKey of 2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is QXEFGPWWJLFYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)4-9-2-1-3-12(9)6-8-5-11-15-7-8/h5,7,9H,1-4,6H2,(H,13,14).
What are the key properties of 2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid?
2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61372299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).