CID 170845858

C2H5NNaO4 — CID 170845858

IUPAC—
SMILESN.O=C(O)C(=O)O.[Na]
InChIInChI=1S/C2H2O4.H3N.Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H3;
InChIKeyNZRSHVHCFFCOOV-UHFFFAOYSA-N
MW130.06 g/mol
LogP-1.06
Rot. Bonds

About CID 170845858

CID 170845858 (PubChem CID 170845858) has the molecular formula C2H5NNaO4 and a molecular weight of 130.06 g/mol.

Molecular Properties

Compound NameCID 170845858
PubChem CID170845858
Molecular FormulaC2H5NNaO4
Molecular Weight130.06 g/mol
Exact Mass130.01
IUPAC Name—
SMILESN.O=C(O)C(=O)O.[Na]
InChIInChI=1S/C2H2O4.H3N.Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H3;
InChIKeyNZRSHVHCFFCOOV-UHFFFAOYSA-N
XLogP-1.06
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.06
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze CID 170845858 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

azane;oxalic acid;dihydrate
CID 173006602
azane;iron;oxalic acid
CID 87090690
azane;carbonic acid;oxalic acid
CID 174837249
azane;azanide;cobalt;oxalic acid
CID 50897270
magnesium oxalic acid
CID 54611841
oxalic acid;hydrochloride
CID 173369286
oxalic acid;trihydrochloride
CID 140553783
californium;oxalic acid
CID 87427078
oxalic acid;thorium
CID 25199595
europium;oxalic acid
CID 90472147
potassium;azane;hydride;iron;oxalic acid
CID 173003601
azane;oxalic acid;oxotitanium;hydrate
CID 45051728

Frequently Asked Questions

What is the IUPAC name of CID 170845858?
The IUPAC name of CID 170845858 (CID 170845858) is not available.
What is the SMILES notation for CID 170845858?
The canonical SMILES for CID 170845858 is N.O=C(O)C(=O)O.[Na].
What is the InChIKey of CID 170845858?
The InChIKey is NZRSHVHCFFCOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.H3N.Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H3;.
What are the key properties of CID 170845858?
CID 170845858 has a molecular weight of 130.06 g/mol, XLogP of -1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170845858 is sourced from PubChem (CID 170845858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).