2-methylpropanoic acid

C24H48O12 — CID 173073412

IUPAC2-methylpropanoic acid
SMILESCC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O
InChIInChI=1S/6C4H8O2/c6*1-3(2)4(5)6/h6*3H,1-2H3,(H,5,6)
InChIKeySGABNLZYSUUCPD-UHFFFAOYSA-N
MW528.64 g/mol
LogP4.36
Rot. Bonds6

About 2-methylpropanoic acid

2-methylpropanoic acid (PubChem CID 173073412) has the molecular formula C24H48O12 and a molecular weight of 528.64 g/mol. Its IUPAC name is 2-methylpropanoic acid.

Molecular Properties

Compound Name2-methylpropanoic acid
PubChem CID173073412
Molecular FormulaC24H48O12
Molecular Weight528.64 g/mol
Exact Mass528.31
IUPAC Name2-methylpropanoic acid
SMILESCC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O
InChIInChI=1S/6C4H8O2/c6*1-3(2)4(5)6/h6*3H,1-2H3,(H,5,6)
InChIKeySGABNLZYSUUCPD-UHFFFAOYSA-N
XLogP4.36
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 54.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

azane;2-methylpropanoic acid;hydrate
CID 161320294
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
dichloromethane;2-methylpropanoic acid
CID 161358956
2-methylpropanoic acid;sulfuric acid
CID 160710390
2-methylpropanoic acid;triiodovanadium
CID 158772262
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
cyanamide;2-methylpropanoic acid
CID 172748410

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoic acid?
The IUPAC name of 2-methylpropanoic acid (CID 173073412) is 2-methylpropanoic acid.
What is the SMILES notation for 2-methylpropanoic acid?
The canonical SMILES for 2-methylpropanoic acid is CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.
What is the InChIKey of 2-methylpropanoic acid?
The InChIKey is SGABNLZYSUUCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H8O2/c6*1-3(2)4(5)6/h6*3H,1-2H3,(H,5,6).
What are the key properties of 2-methylpropanoic acid?
2-methylpropanoic acid has a molecular weight of 528.64 g/mol, XLogP of 4.36, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid is sourced from PubChem (CID 173073412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).