butyl 2-[ethoxycarbonyl(ethyl)amino]acetate

C11H21NO4 — CID 91714262

IUPACbutyl 2-[ethoxycarbonyl(ethyl)amino]acetate
SMILESCCCCOC(=O)CN(CC)C(=O)OCC
InChIInChI=1S/C11H21NO4/c1-4-7-8-16-10(13)9-12(5-2)11(14)15-6-3/h4-9H2,1-3H3
InChIKeyPKWDCNLPHDFVNA-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.81
Rot. Bonds7

About butyl 2-[ethoxycarbonyl(ethyl)amino]acetate

butyl 2-[ethoxycarbonyl(ethyl)amino]acetate (PubChem CID 91714262) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is butyl 2-[ethoxycarbonyl(ethyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[ethoxycarbonyl(ethyl)amino]acetate
PubChem CID91714262
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namebutyl 2-[ethoxycarbonyl(ethyl)amino]acetate
SMILESCCCCOC(=O)CN(CC)C(=O)OCC
InChIInChI=1S/C11H21NO4/c1-4-7-8-16-10(13)9-12(5-2)11(14)15-6-3/h4-9H2,1-3H3
InChIKeyPKWDCNLPHDFVNA-UHFFFAOYSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptadecyl 2-[butoxycarbonyl(ethyl)amino]acetate
CID 91723067
dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate
CID 91718812
pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723541
octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723550
octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate
CID 91723566
undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate
CID 91722849
heptadecyl 2-[ethyl(prop-2-ynoxycarbonyl)amino]acetate
CID 91716860
butyl 2-(dimethylamino)acetate;methane
CID 157088664
octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596
ethyl 2-[ethyl(hexanoyl)amino]acetate
CID 61022826
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057

Frequently Asked Questions

What is the IUPAC name of butyl 2-[ethoxycarbonyl(ethyl)amino]acetate?
The IUPAC name of butyl 2-[ethoxycarbonyl(ethyl)amino]acetate (CID 91714262) is butyl 2-[ethoxycarbonyl(ethyl)amino]acetate.
What is the SMILES notation for butyl 2-[ethoxycarbonyl(ethyl)amino]acetate?
The canonical SMILES for butyl 2-[ethoxycarbonyl(ethyl)amino]acetate is CCCCOC(=O)CN(CC)C(=O)OCC.
What is the InChIKey of butyl 2-[ethoxycarbonyl(ethyl)amino]acetate?
The InChIKey is PKWDCNLPHDFVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-7-8-16-10(13)9-12(5-2)11(14)15-6-3/h4-9H2,1-3H3.
What are the key properties of butyl 2-[ethoxycarbonyl(ethyl)amino]acetate?
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate has a molecular weight of 231.29 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[ethoxycarbonyl(ethyl)amino]acetate is sourced from PubChem (CID 91714262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).