3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid

C11H20N2O3 — CID 79278388

IUPAC3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid
SMILESC=CCNCC(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-6-12-7-10(14)13(5-2)8-9(3)11(15)16/h4,9,12H,1,5-8H2,2-3H3,(H,15,16)
InChIKeyFQJCXDDGLWJTAZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.33
Rot. Bonds8

About 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid

3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid (PubChem CID 79278388) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid
PubChem CID79278388
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid
SMILESC=CCNCC(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-6-12-7-10(14)13(5-2)8-9(3)11(15)16/h4,9,12H,1,5-8H2,2-3H3,(H,15,16)
InChIKeyFQJCXDDGLWJTAZ-UHFFFAOYSA-N
XLogP0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic 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,N-diethyl-2-(prop-2-enylamino)acetamide
CID 28563292
N-ethyl-2-(prop-2-enylamino)-N-propylacetamide
CID 79286208
3-[ethyl-[2-(propan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62853903
3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid
CID 79257299
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267
2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79279874
N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79280206
N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide
CID 79286394
3-[ethyl(3-ethylsulfanylpropanoyl)amino]-2-methylpropanoic acid
CID 115731435
2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79278889
3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62825581
3-[ethyl(3,4,4-trimethylpentanoyl)amino]-2-methylpropanoic acid
CID 63834633

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid (CID 79278388) is 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid is C=CCNCC(=O)N(CC)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is FQJCXDDGLWJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-6-12-7-10(14)13(5-2)8-9(3)11(15)16/h4,9,12H,1,5-8H2,2-3H3,(H,15,16).
What are the key properties of 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid?
3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 79278388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).