CID 88513173

C5H10NaO2 — CID 88513173

IUPAC—
SMILESCCC(C)C(=O)O.[Na]
InChIInChI=1S/C5H10O2.Na/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H,6,7);
InChIKeyLRGMRRAEBZNLIC-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.74
Rot. Bonds2

About CID 88513173

CID 88513173 (PubChem CID 88513173) has the molecular formula C5H10NaO2 and a molecular weight of 125.12 g/mol.

Molecular Properties

Compound NameCID 88513173
PubChem CID88513173
Molecular FormulaC5H10NaO2
Molecular Weight125.12 g/mol
Exact Mass125.06
IUPAC Name—
SMILESCCC(C)C(=O)O.[Na]
InChIInChI=1S/C5H10O2.Na/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H,6,7);
InChIKeyLRGMRRAEBZNLIC-UHFFFAOYSA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 88513173 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

methane;(2S)-2-methylbutanoic acid
CID 159302978
ethane;2-methylbutanoic acid
CID 87621166
iron;2-methylbutanoic acid
CID 175205801
bis(2-methylbutanoic acid);nickel
CID 170549792
CID 159174397
CID 159174397
methyl butanoate;2-methylbutanoic acid
CID 87240757
(2R)-2-methylbutanoic acid;2-methyloxetane
CID 70383358
ethane;ethenyl acetate;2-methylbutanoic acid
CID 174248174
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
2,4,6,8-tetramethyldecanoic acid
CID 5312348
2-(2-methylbutanoylamino)propanoic acid
CID 14758658

Frequently Asked Questions

What is the IUPAC name of CID 88513173?
The IUPAC name of CID 88513173 (CID 88513173) is not available.
What is the SMILES notation for CID 88513173?
The canonical SMILES for CID 88513173 is CCC(C)C(=O)O.[Na].
What is the InChIKey of CID 88513173?
The InChIKey is LRGMRRAEBZNLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Na/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H,6,7);.
What are the key properties of CID 88513173?
CID 88513173 has a molecular weight of 125.12 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88513173 is sourced from PubChem (CID 88513173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).