2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid

C11H18N2O3 — CID 62820145

IUPAC2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid
SMILESC#CCNC(=O)CN(CC)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-5-7-12-9(14)8-13(6-2)11(3,4)10(15)16/h1H,6-8H2,2-4H3,(H,12,14)(H,15,16)
InChIKeyZAIWDGZFEIUGAQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.08
Rot. Bonds6

About 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid (PubChem CID 62820145) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid
PubChem CID62820145
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid
SMILESC#CCNC(=O)CN(CC)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-5-7-12-9(14)8-13(6-2)11(3,4)10(15)16/h1H,6-8H2,2-4H3,(H,12,14)(H,15,16)
InChIKeyZAIWDGZFEIUGAQ-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]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

2-[tert-butyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetic acid
CID 79269288
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821190
2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide
CID 78963427
2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62820250
2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide
CID 60686063
2-(N-ethylanilino)-N-prop-2-ynylacetamide
CID 78914189
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide
CID 112726197
2-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821189
2-[ethyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123515
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62820100

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid (CID 62820145) is 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid is C#CCNC(=O)CN(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid?
The InChIKey is ZAIWDGZFEIUGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-7-12-9(14)8-13(6-2)11(3,4)10(15)16/h1H,6-8H2,2-4H3,(H,12,14)(H,15,16).
What are the key properties of 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid has a molecular weight of 226.28 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).