ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate

C12H23NO4 — CID 134521811

IUPACethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate
SMILESCCOC(=O)CC(CC)N(CC)C(=O)OCC
InChIInChI=1S/C12H23NO4/c1-5-10(9-11(14)16-7-3)13(6-2)12(15)17-8-4/h10H,5-9H2,1-4H3
InChIKeyOZJSGYJXKKFXQA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.20
Rot. Bonds7

About ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate

ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate (PubChem CID 134521811) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate
PubChem CID134521811
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate
SMILESCCOC(=O)CC(CC)N(CC)C(=O)OCC
InChIInChI=1S/C12H23NO4/c1-5-10(9-11(14)16-7-3)13(6-2)12(15)17-8-4/h10H,5-9H2,1-4H3
InChIKeyOZJSGYJXKKFXQA-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate 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

Ethyl N-(ethoxycarbonyl)-N-(3-ethoxy-3-oxopropyl)-beta-alaninate
CID 20237712
Ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 14337544
Ethyl 3-[ethoxycarbonyl-(3-ethoxy-3-oxopropyl)amino]butanoate
CID 15696583
Ethyl 3-(N-methyl-N-(2-ethoxycarbonyleth-1-yl)amino)butanoate
CID 18365250
Ethyl 3-[(3-ethoxy-3-oxopropyl)-methoxycarbonylamino]butanoate
CID 21500284
Ethyl 3-{{[(1,1-dimethylethyl)oxy]carbonyl}[3-(ethyloxy)-3-oxopropyl]amino}butanoate
CID 59255995
3-[Ethoxycarbonyl(ethyl)amino]butanoic acid
CID 62827074
Ethyl 3-(dimethylamino)pentanoate
CID 64541362
ethyl N-[2-(ethoxycarbonyl)ethyl]-N-(methoxycarbonyl)-beta-alanine
CID 86734138
methyl (3S)-3-(diethylamino)pentanoate
CID 89089310
Methyl 3-[(3-ethoxy-3-oxopropanoyl)-(oxan-4-yl)amino]butanoate
CID 118454767
Ethyl 3-[butoxycarbonyl(butyl)amino]butanoate
CID 134521107

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate?
The IUPAC name of ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate (CID 134521811) is ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate.
What is the SMILES notation for ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate?
The canonical SMILES for ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate is CCOC(=O)CC(CC)N(CC)C(=O)OCC.
What is the InChIKey of ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate?
The InChIKey is OZJSGYJXKKFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-10(9-11(14)16-7-3)13(6-2)12(15)17-8-4/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate?
ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate has a molecular weight of 245.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethoxycarbonyl(ethyl)amino]pentanoate is sourced from PubChem (CID 134521811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).