tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate

C9H18N2O4 — CID 122697870

IUPACtert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCO
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6-7(13)10-4-5-12/h12H,4-6H2,1-3H3,(H,10,13)(H,11,14)
InChIKeySHEVMIDBTJKQTB-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.38
Rot. Bonds4

About tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate

tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate (PubChem CID 122697870) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate
PubChem CID122697870
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Nametert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCO
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6-7(13)10-4-5-12/h12H,4-6H2,1-3H3,(H,10,13)(H,11,14)
InChIKeySHEVMIDBTJKQTB-UHFFFAOYSA-N
XLogP-0.38
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate (CID 122697870) is tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCCO.
What is the InChIKey of tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate?
The InChIKey is SHEVMIDBTJKQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6-7(13)10-4-5-12/h12H,4-6H2,1-3H3,(H,10,13)(H,11,14).
What are the key properties of tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate has a molecular weight of 218.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 122697870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).