4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid

C5H8N2O6 — CID 174948995

IUPAC4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid
SMILESNC(=O)NOC(=O)CC(O)C(=O)O
InChIInChI=1S/C5H8N2O6/c6-5(12)7-13-3(9)1-2(8)4(10)11/h2,8H,1H2,(H,10,11)(H3,6,7,12)
InChIKeyYQBGEDJXXCRIGG-UHFFFAOYSA-N
MW192.13 g/mol
LogP-2.05
Rot. Bonds3

About 4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid

4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid (PubChem CID 174948995) has the molecular formula C5H8N2O6 and a molecular weight of 192.13 g/mol. Its IUPAC name is 4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid
PubChem CID174948995
Molecular FormulaC5H8N2O6
Molecular Weight192.13 g/mol
Exact Mass192.04
IUPAC Name4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid
SMILESNC(=O)NOC(=O)CC(O)C(=O)O
InChIInChI=1S/C5H8N2O6/c6-5(12)7-13-3(9)1-2(8)4(10)11/h2,8H,1H2,(H,10,11)(H3,6,7,12)
InChIKeyYQBGEDJXXCRIGG-UHFFFAOYSA-N
XLogP-2.05
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3S)-3-amino-4-(3-carboxy-3-hydroxypropanoyl)oxy-4-oxobutanoyl]oxy-2-hydroxy-4-oxobutanoic acid
CID 174613181
4-(chloromethoxycarbonyloxy)-2-hydroxy-4-oxobutanoic acid
CID 66562269
5-(carbamoylamino)oxy-5-oxopentanoic acid
CID 175122695
4-ethenoxy-2-hydroxy-4-oxobutanoic acid
CID 123885339
4-acetylperoxy-2-hydroxy-4-oxobutanoic acid
CID 141191892
acetic acid;4-[4-(3-carboxy-3-hydroxypropanoyl)oxy-4-oxobutanoyl]oxy-2-hydroxy-4-oxobutanoic acid
CID 174459196
(carbamoylamino) 2-cyanoacetate
CID 57275563
4-(4-ethoxy-4-oxobutan-2-yl)oxy-2-hydroxy-4-oxobutanoic acid
CID 162441222
4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383498
(2R)-3-amino-2-hydroxypropanoic acid;hydrochloride
CID 87417559
cobalt;2-hydroxybutanedioic acid
CID 87544145
carbonic acid;2-hydroxybutanedioic acid
CID 160732172

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid?
The IUPAC name of 4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid (CID 174948995) is 4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid is NC(=O)NOC(=O)CC(O)C(=O)O.
What is the InChIKey of 4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid?
The InChIKey is YQBGEDJXXCRIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O6/c6-5(12)7-13-3(9)1-2(8)4(10)11/h2,8H,1H2,(H,10,11)(H3,6,7,12).
What are the key properties of 4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid?
4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid has a molecular weight of 192.13 g/mol, XLogP of -2.05, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid is sourced from PubChem (CID 174948995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).