4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid

C8H9N3O5 — CID 43209858

IUPAC4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)c1ccno1)C(=O)O
InChIInChI=1S/C8H9N3O5/c9-6(12)3-4(8(14)15)11-7(13)5-1-2-10-16-5/h1-2,4H,3H2,(H2,9,12)(H,11,13)(H,14,15)
InChIKeyUACAFNWQBUZAOR-UHFFFAOYSA-N
MW227.18 g/mol
LogP-1.27
Rot. Bonds5

About 4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid

4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid (PubChem CID 43209858) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is 4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid
PubChem CID43209858
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)c1ccno1)C(=O)O
InChIInChI=1S/C8H9N3O5/c9-6(12)3-4(8(14)15)11-7(13)5-1-2-10-16-5/h1-2,4H,3H2,(H2,9,12)(H,11,13)(H,14,15)
InChIKeyUACAFNWQBUZAOR-UHFFFAOYSA-N
XLogP-1.27
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106421305
(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 30118248
4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 43183438
(2R)-4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 28778450
3-(3,4-dihydroxyphenyl)-2-(1,2-oxazole-5-carbonylamino)propanoic acid
CID 61070986
(2R)-2-(1,2-oxazole-5-carbonylamino)propanoic acid
CID 28777798
(2S)-4-amino-2-(1,2-oxazole-4-carbonylamino)-4-oxobutanoic acid
CID 110835000
(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 64950275
4-amino-2-[(4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 43084996
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
(2S)-3,3-dimethyl-2-(1,2-oxazole-5-carbonylamino)butanoic acid
CID 61143807
(2S)-4-amino-4-oxo-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 63714065

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid (CID 43209858) is 4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid is NC(=O)CC(NC(=O)c1ccno1)C(=O)O.
What is the InChIKey of 4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid?
The InChIKey is UACAFNWQBUZAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c9-6(12)3-4(8(14)15)11-7(13)5-1-2-10-16-5/h1-2,4H,3H2,(H2,9,12)(H,11,13)(H,14,15).
What are the key properties of 4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid?
4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid has a molecular weight of 227.18 g/mol, XLogP of -1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid is sourced from PubChem (CID 43209858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).