propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate

C10H20N2O4 — CID 170222186

IUPACpropan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate
SMILESCC(C)OC(=O)CNCCOCC(N)C=O
InChIInChI=1S/C10H20N2O4/c1-8(2)16-10(14)5-12-3-4-15-7-9(11)6-13/h6,8-9,12H,3-5,7,11H2,1-2H3
InChIKeyJMJKWVJJAGSCCL-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.93
Rot. Bonds9

About propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate

propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate (PubChem CID 170222186) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate
PubChem CID170222186
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namepropan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate
SMILESCC(C)OC(=O)CNCCOCC(N)C=O
InChIInChI=1S/C10H20N2O4/c1-8(2)16-10(14)5-12-3-4-15-7-9(11)6-13/h6,8-9,12H,3-5,7,11H2,1-2H3
InChIKeyJMJKWVJJAGSCCL-UHFFFAOYSA-N
XLogP-0.93
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate 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

propan-2-yl 2-(2-methylsulfanylethylamino)acetate
CID 63964446
propan-2-yl 2-[2-(trifluoromethylsulfanyl)ethylamino]acetate
CID 106429252
1-ethoxypropan-2-yl 2-(2-methoxyethylamino)acetate
CID 103488949
propan-2-yl 3-(2-aminopropylamino)propanoate
CID 54006128
propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
CID 106036436
propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336503
(2S)-2-amino-3-methoxypropanal
CID 18395600
[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
CID 13338650
2-[[2-(2-methylpropoxy)ethylamino]methyl]prop-2-enoic acid
CID 103267625
propan-2-yl 2-(fluoroamino)acetate
CID 89108971
propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62976857
propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate
CID 148823158

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate?
The IUPAC name of propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate (CID 170222186) is propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate?
The canonical SMILES for propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate is CC(C)OC(=O)CNCCOCC(N)C=O.
What is the InChIKey of propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate?
The InChIKey is JMJKWVJJAGSCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-8(2)16-10(14)5-12-3-4-15-7-9(11)6-13/h6,8-9,12H,3-5,7,11H2,1-2H3.
What are the key properties of propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate?
propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate has a molecular weight of 232.28 g/mol, XLogP of -0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate is sourced from PubChem (CID 170222186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).