3-methyl-2-propylpentanoic acid

C9H18O2 — CID 54305821

IUPAC3-methyl-2-propylpentanoic acid
SMILESCCCC(C(=O)O)C(C)CC
InChIInChI=1S/C9H18O2/c1-4-6-8(9(10)11)7(3)5-2/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeySHKIDQPEVVMKQV-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.53
Rot. Bonds5

About 3-methyl-2-propylpentanoic acid

3-methyl-2-propylpentanoic acid (PubChem CID 54305821) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-methyl-2-propylpentanoic acid.

Molecular Properties

Compound Name3-methyl-2-propylpentanoic acid
PubChem CID54305821
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-methyl-2-propylpentanoic acid
SMILESCCCC(C(=O)O)C(C)CC
InChIInChI=1S/C9H18O2/c1-4-6-8(9(10)11)7(3)5-2/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeySHKIDQPEVVMKQV-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-2-propylpentanoic 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

2-butan-2-ylpentadecanoic acid
CID 87442316
2-(1-ethoxypropan-2-yl)pentanoic acid
CID 172824174
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778
ethane;2-propan-2-ylpentanoic acid
CID 175540570
5-methyl-4-propylheptane-2,3-dione
CID 143352609
16-methoxycarbonyl-5,9,13,17-tetramethyloctadecane-3,7,11-tricarboxylic acid
CID 175111700
2-butan-2-yloctanedioic acid
CID 54043997
(2R)-pentane-1,1,2-tricarboxylic acid
CID 54153831
2-butan-2-ylhept-6-enoic acid
CID 142563847
3,7-dimethyl-2-propyloct-6-enoic acid
CID 91153556
3-pentan-3-yloxycarbonyl-2-propylhexanoic acid
CID 131966080
methane;2-(1-oxo-1-propoxypropan-2-yl)pentanoic acid
CID 160908487

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propylpentanoic acid?
The IUPAC name of 3-methyl-2-propylpentanoic acid (CID 54305821) is 3-methyl-2-propylpentanoic acid.
What is the SMILES notation for 3-methyl-2-propylpentanoic acid?
The canonical SMILES for 3-methyl-2-propylpentanoic acid is CCCC(C(=O)O)C(C)CC.
What is the InChIKey of 3-methyl-2-propylpentanoic acid?
The InChIKey is SHKIDQPEVVMKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-6-8(9(10)11)7(3)5-2/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-methyl-2-propylpentanoic acid?
3-methyl-2-propylpentanoic acid has a molecular weight of 158.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propylpentanoic acid is sourced from PubChem (CID 54305821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).