2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate

C10H17NO3 — CID 163786290

IUPAC2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate
SMILESC#CC(O)N(CC)CCOC(=O)CC
InChIInChI=1S/C10H17NO3/c1-4-9(12)11(6-3)7-8-14-10(13)5-2/h1,9,12H,5-8H2,2-3H3
InChIKeyMSVPDQVUDOJYPG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.21
Rot. Bonds6

About 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate

2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate (PubChem CID 163786290) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate.

Molecular Properties

Compound Name2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate
PubChem CID163786290
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate
SMILESC#CC(O)N(CC)CCOC(=O)CC
InChIInChI=1S/C10H17NO3/c1-4-9(12)11(6-3)7-8-14-10(13)5-2/h1,9,12H,5-8H2,2-3H3
InChIKeyMSVPDQVUDOJYPG-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate 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-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2-[ethyl(iodo)amino]ethyl propanoate
CID 167202757
2-tellanylethyl propanoate
CID 174440561
4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383498
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
CID 123682095
2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium
CID 169015750
azane;4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383497
[(3R)-3-fluorobutyl] propanoate
CID 163735225
2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
CID 142272476
14-propanoyloxytetradecyl propanoate
CID 100931915
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-[2-(2-methylpropanoyloxy)ethyl-(2-propanoyloxyethyl)amino]ethyl 2-methylbutanoate
CID 170746275

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate?
The IUPAC name of 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate (CID 163786290) is 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate.
What is the SMILES notation for 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate?
The canonical SMILES for 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate is C#CC(O)N(CC)CCOC(=O)CC.
What is the InChIKey of 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate?
The InChIKey is MSVPDQVUDOJYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-9(12)11(6-3)7-8-14-10(13)5-2/h1,9,12H,5-8H2,2-3H3.
What are the key properties of 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate?
2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate has a molecular weight of 199.25 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate is sourced from PubChem (CID 163786290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).