2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid

C9H10N2O4 — CID 62697237

IUPAC2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccno1
InChIInChI=1S/C9H10N2O4/c12-8(6-3-4-10-15-6)11-7(9(13)14)5-1-2-5/h3-5,7H,1-2H2,(H,11,12)(H,13,14)
InChIKeyJNKLBSAXRMEIIK-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.27
Rot. Bonds4

About 2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid

2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid (PubChem CID 62697237) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid
PubChem CID62697237
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccno1
InChIInChI=1S/C9H10N2O4/c12-8(6-3-4-10-15-6)11-7(9(13)14)5-1-2-5/h3-5,7H,1-2H2,(H,11,12)(H,13,14)
InChIKeyJNKLBSAXRMEIIK-UHFFFAOYSA-N
XLogP0.27
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-1,2-oxazole-5-carboxamide
CID 130718675
2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
CID 62697228
(2R)-2-(1,2-oxazole-5-carbonylamino)propanoic acid
CID 28777798
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
(2S)-3,3-dimethyl-2-(1,2-oxazole-5-carbonylamino)butanoic acid
CID 61143807
N-cyclobutyl-1,2-oxazole-5-carboxamide
CID 126857173
2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 62694960
2-cyclopropyl-2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
CID 119213563
2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 119213623
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid
CID 103790725
2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid (CID 62697237) is 2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid is O=C(NC(C(=O)O)C1CC1)c1ccno1.
What is the InChIKey of 2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid?
The InChIKey is JNKLBSAXRMEIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(6-3-4-10-15-6)11-7(9(13)14)5-1-2-5/h3-5,7H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid?
2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid has a molecular weight of 210.19 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid is sourced from PubChem (CID 62697237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).