2-(1,2-oxazole-5-carbonylamino)propanoic acid

C7H8N2O4 — CID 43209786

IUPAC2-(1,2-oxazole-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1ccno1)C(=O)O
InChIInChI=1S/C7H8N2O4/c1-4(7(11)12)9-6(10)5-2-3-8-13-5/h2-4H,1H3,(H,9,10)(H,11,12)
InChIKeySBRWLNGQTVTCBQ-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.12
Rot. Bonds3

About 2-(1,2-oxazole-5-carbonylamino)propanoic acid

2-(1,2-oxazole-5-carbonylamino)propanoic acid (PubChem CID 43209786) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(1,2-oxazole-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(1,2-oxazole-5-carbonylamino)propanoic acid
PubChem CID43209786
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(1,2-oxazole-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1ccno1)C(=O)O
InChIInChI=1S/C7H8N2O4/c1-4(7(11)12)9-6(10)5-2-3-8-13-5/h2-4H,1H3,(H,9,10)(H,11,12)
InChIKeySBRWLNGQTVTCBQ-UHFFFAOYSA-N
XLogP-0.12
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-isothiocyanatobutyl)-1,2-oxazole-5-carboxamide
CID 155530152
N-(2-aminoethyl)-1,2-oxazole-5-carboxamide
CID 60966581
N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 2738871
Methyl 4-((isoxazole-5-carboxamido)methyl)piperidine-1-carboxylate
CID 49754849
[[(3S)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]carbamoylamino] 2,2,2-trifluoroacetate
CID 140200245
N,N-dibutyl-1,2-oxazole-5-carboxamide
CID 13673119
2-[1,2-Oxazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 115277855
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazole-5-carbonylamino)propanoic acid
CID 115824386
N-(2-fluorocyclopentyl)-1,2-oxazole-5-carboxamide
CID 126856294
N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
CID 126997794
N-(2-fluoroethyl)-1,2-oxazole-5-carboxamide
CID 130660753
N-[(1R,2R)-2-fluorocyclopentyl]-1,2-oxazole-5-carboxamide
CID 137947146

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazole-5-carbonylamino)propanoic acid?
The IUPAC name of 2-(1,2-oxazole-5-carbonylamino)propanoic acid (CID 43209786) is 2-(1,2-oxazole-5-carbonylamino)propanoic acid.
What is the SMILES notation for 2-(1,2-oxazole-5-carbonylamino)propanoic acid?
The canonical SMILES for 2-(1,2-oxazole-5-carbonylamino)propanoic acid is CC(NC(=O)c1ccno1)C(=O)O.
What is the InChIKey of 2-(1,2-oxazole-5-carbonylamino)propanoic acid?
The InChIKey is SBRWLNGQTVTCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4(7(11)12)9-6(10)5-2-3-8-13-5/h2-4H,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(1,2-oxazole-5-carbonylamino)propanoic acid?
2-(1,2-oxazole-5-carbonylamino)propanoic acid has a molecular weight of 184.15 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazole-5-carbonylamino)propanoic acid is sourced from PubChem (CID 43209786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).