4-acetamido-2-ethylpentanoic acid

C9H17NO3 — CID 172972827

IUPAC4-acetamido-2-ethylpentanoic acid
SMILESCCC(CC(C)NC(C)=O)C(=O)O
InChIInChI=1S/C9H17NO3/c1-4-8(9(12)13)5-6(2)10-7(3)11/h6,8H,4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyAGUTURYHXDARHR-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.01
Rot. Bonds5

About 4-acetamido-2-ethylpentanoic acid

4-acetamido-2-ethylpentanoic acid (PubChem CID 172972827) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-acetamido-2-ethylpentanoic acid.

Molecular Properties

Compound Name4-acetamido-2-ethylpentanoic acid
PubChem CID172972827
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-acetamido-2-ethylpentanoic acid
SMILESCCC(CC(C)NC(C)=O)C(=O)O
InChIInChI=1S/C9H17NO3/c1-4-8(9(12)13)5-6(2)10-7(3)11/h6,8H,4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyAGUTURYHXDARHR-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-acetamido-2-ethylpentanoic 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

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-ethyl-4-fluoropentanoic acid
CID 142907671
ethane;2-ethylbutanoic acid
CID 142229949
CID 87086045
CID 87086045
CID 123134376
CID 123134376
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
2,5-diethyl-3-methylhexanedioic acid
CID 173451438
2-ethyl-4,6-dimethylheptanedioic acid
CID 156625927
4-[2-[4-carboxy-2-(2-formamidopropyl)hexanoyl]oxyethoxycarbonyl]-2-ethyl-6-formamidoheptanoic acid
CID 154606960
(2S)-2-ethylbutanedioic acid
CID 6997245
(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
ethane;formic acid;N-(4-methylpentan-2-yl)acetamide
CID 144674968

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-ethylpentanoic acid?
The IUPAC name of 4-acetamido-2-ethylpentanoic acid (CID 172972827) is 4-acetamido-2-ethylpentanoic acid.
What is the SMILES notation for 4-acetamido-2-ethylpentanoic acid?
The canonical SMILES for 4-acetamido-2-ethylpentanoic acid is CCC(CC(C)NC(C)=O)C(=O)O.
What is the InChIKey of 4-acetamido-2-ethylpentanoic acid?
The InChIKey is AGUTURYHXDARHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-8(9(12)13)5-6(2)10-7(3)11/h6,8H,4-5H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 4-acetamido-2-ethylpentanoic acid?
4-acetamido-2-ethylpentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-ethylpentanoic acid is sourced from PubChem (CID 172972827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).