2-(2-ethylpent-4-ynoylamino)propanoic acid

C10H15NO3 — CID 123783253

IUPAC2-(2-ethylpent-4-ynoylamino)propanoic acid
SMILESC#CCC(CC)C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H15NO3/c1-4-6-8(5-2)9(12)11-7(3)10(13)14/h1,7-8H,5-6H2,2-3H3,(H,11,12)(H,13,14)
InChIKeyCCGNNYUWIOHGJE-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.63
Rot. Bonds5

About 2-(2-ethylpent-4-ynoylamino)propanoic acid

2-(2-ethylpent-4-ynoylamino)propanoic acid (PubChem CID 123783253) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(2-ethylpent-4-ynoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-ethylpent-4-ynoylamino)propanoic acid
PubChem CID123783253
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(2-ethylpent-4-ynoylamino)propanoic acid
SMILESC#CCC(CC)C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H15NO3/c1-4-6-8(5-2)9(12)11-7(3)10(13)14/h1,7-8H,5-6H2,2-3H3,(H,11,12)(H,13,14)
InChIKeyCCGNNYUWIOHGJE-UHFFFAOYSA-N
XLogP0.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-ethylpent-4-ynoylamino)propanoic 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

N-Acetyl-L-leucine
CID 70912
N-Acetyl-D-leucine
CID 1241420
acetyl-DL-leucine
CID 1995
N-Acetylisoleucine
CID 7036275
N-(1-Hydroxyethylidene)isoleucine
CID 306109
(2R,3R)-2-acetamido-3-methylpentanoic acid
CID 7036277
N-(3-Methyl-1-oxobutyl)-L-alanine
CID 129285
N-Acetylpropargylglycine
CID 193022
3-Methyl-2-(2-methylpropanamido)butanoic acid
CID 16773342
2-(Cyclobutylformamido)propanoic acid
CID 16775400
3-Methyl-2-(2-methylpropanamido)pentanoic acid
CID 16777214
(2S,3R)-2-acetamido-3-methylpentanoic acid
CID 76501

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpent-4-ynoylamino)propanoic acid?
The IUPAC name of 2-(2-ethylpent-4-ynoylamino)propanoic acid (CID 123783253) is 2-(2-ethylpent-4-ynoylamino)propanoic acid.
What is the SMILES notation for 2-(2-ethylpent-4-ynoylamino)propanoic acid?
The canonical SMILES for 2-(2-ethylpent-4-ynoylamino)propanoic acid is C#CCC(CC)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(2-ethylpent-4-ynoylamino)propanoic acid?
The InChIKey is CCGNNYUWIOHGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-6-8(5-2)9(12)11-7(3)10(13)14/h1,7-8H,5-6H2,2-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-(2-ethylpent-4-ynoylamino)propanoic acid?
2-(2-ethylpent-4-ynoylamino)propanoic acid has a molecular weight of 197.23 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpent-4-ynoylamino)propanoic acid is sourced from PubChem (CID 123783253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).