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

C9H17N3O4 — CID 14236095

IUPACtert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C9H17N3O4/c1-9(2,3)16-8(15)12-5-7(14)11-4-6(10)13/h4-5H2,1-3H3,(H2,10,13)(H,11,14)(H,12,15)
InChIKeyWCMFSDIWPNHRHT-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.89
Rot. Bonds4

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

tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate (PubChem CID 14236095) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
PubChem CID14236095
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Nametert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C9H17N3O4/c1-9(2,3)16-8(15)12-5-7(14)11-4-6(10)13/h4-5H2,1-3H3,(H2,10,13)(H,11,14)(H,12,15)
InChIKeyWCMFSDIWPNHRHT-UHFFFAOYSA-N
XLogP-0.89
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-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

Related Compounds

tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene
CID 144701048
tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192
prop-2-ynyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
CID 46702962
2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]ethyl N-aminocarbamate
CID 135302900
tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
CID 167104195
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 11821341
tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
CID 134417923
tert-butyl N-[2-(but-3-ynylamino)-2-oxoethyl]carbamate
CID 56765722
(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoic acid
CID 71361691
tert-butyl N-[2-[2-(3-chloropropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108570337

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate (CID 14236095) is tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCC(N)=O.
What is the InChIKey of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate?
The InChIKey is WCMFSDIWPNHRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-9(2,3)16-8(15)12-5-7(14)11-4-6(10)13/h4-5H2,1-3H3,(H2,10,13)(H,11,14)(H,12,15).
What are the key properties of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate has a molecular weight of 231.25 g/mol, XLogP of -0.89, 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-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 14236095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).