(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid

C9H12N4O5 — CID 106421305

IUPAC(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)NCc1ccno1)C(=O)O
InChIInChI=1S/C9H12N4O5/c10-7(14)3-6(8(15)16)13-9(17)11-4-5-1-2-12-18-5/h1-2,6H,3-4H2,(H2,10,14)(H,15,16)(H2,11,13,17)/t6-/m1/s1
InChIKeyJRLQPRMKBRXKJF-ZCFIWIBFSA-N
MW256.22 g/mol
LogP-1.20
Rot. Bonds6

About (2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid

(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 106421305) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is (2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
PubChem CID106421305
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC Name(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)NCc1ccno1)C(=O)O
InChIInChI=1S/C9H12N4O5/c10-7(14)3-6(8(15)16)13-9(17)11-4-5-1-2-12-18-5/h1-2,6H,3-4H2,(H2,10,14)(H,15,16)(H2,11,13,17)/t6-/m1/s1
InChIKeyJRLQPRMKBRXKJF-ZCFIWIBFSA-N
XLogP-1.20
TPSA147.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 106421211
4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid
CID 43209858
(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421210
3,3-dimethyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421303
(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106421215
2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 106420891
4-amino-2-(benzylcarbamoylamino)-4-oxobutanoic acid
CID 61183397
(2S)-4-amino-2-[(4-fluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63715060
4-amino-4-oxo-2-(thiophen-3-ylmethylcarbamoylamino)butanoic acid
CID 63244227
3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 114186675
4-amino-2-(furan-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 103997783

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid (CID 106421305) is (2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)NCc1ccno1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is JRLQPRMKBRXKJF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N4O5/c10-7(14)3-6(8(15)16)13-9(17)11-4-5-1-2-12-18-5/h1-2,6H,3-4H2,(H2,10,14)(H,15,16)(H2,11,13,17)/t6-/m1/s1.
What are the key properties of (2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid?
(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 256.22 g/mol, XLogP of -1.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 106421305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).