2-nitrosobutanedioic acid

C4H5NO5 — CID 72683476

IUPAC2-nitrosobutanedioic acid
SMILESO=NC(CC(=O)O)C(=O)O
InChIInChI=1S/C4H5NO5/c6-3(7)1-2(5-10)4(8)9/h2H,1H2,(H,6,7)(H,8,9)
InChIKeyUPITYFJYCRTREW-UHFFFAOYSA-N
MW147.09 g/mol
LogP-0.32
Rot. Bonds4

About 2-nitrosobutanedioic acid

2-nitrosobutanedioic acid (PubChem CID 72683476) has the molecular formula C4H5NO5 and a molecular weight of 147.09 g/mol. Its IUPAC name is 2-nitrosobutanedioic acid.

Molecular Properties

Compound Name2-nitrosobutanedioic acid
PubChem CID72683476
Molecular FormulaC4H5NO5
Molecular Weight147.09 g/mol
Exact Mass147.02
IUPAC Name2-nitrosobutanedioic acid
SMILESO=NC(CC(=O)O)C(=O)O
InChIInChI=1S/C4H5NO5/c6-3(7)1-2(5-10)4(8)9/h2H,1H2,(H,6,7)(H,8,9)
InChIKeyUPITYFJYCRTREW-UHFFFAOYSA-N
XLogP-0.32
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-nitrosobutanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-nitrosobutanedioate
CID 60209682
N,N-dihydroxy-L-aspartate
CID 152493606
Nitrosuccinate
CID 45082512
CID 152044347
CID 152044347
(2S)-2-(dihydroxyamino)butanedioate
CID 156621400
Nitrosuccinic acid
CID 15230535
2,3-Dinitrobutanedioic acid
CID 15362981
2,3-Dinitrosobutanoic acid
CID 56606829
2-Isocyanobutanedioic acid
CID 70673980
2-Nitroso-3-sulfanylbutanedioic acid
CID 87711615
(2S)-2-thionitrosobutanedioic acid
CID 91443295
(2S)-4-hydroxy-2-nitrosobutanoic acid
CID 140049583

Frequently Asked Questions

What is the IUPAC name of 2-nitrosobutanedioic acid?
The IUPAC name of 2-nitrosobutanedioic acid (CID 72683476) is 2-nitrosobutanedioic acid.
What is the SMILES notation for 2-nitrosobutanedioic acid?
The canonical SMILES for 2-nitrosobutanedioic acid is O=NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-nitrosobutanedioic acid?
The InChIKey is UPITYFJYCRTREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO5/c6-3(7)1-2(5-10)4(8)9/h2H,1H2,(H,6,7)(H,8,9).
What are the key properties of 2-nitrosobutanedioic acid?
2-nitrosobutanedioic acid has a molecular weight of 147.09 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosobutanedioic acid is sourced from PubChem (CID 72683476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).