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

C9H19N3O3 — CID 11557580

IUPACtert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCN
InChIInChI=1S/C9H19N3O3/c1-9(2,3)15-8(14)12-6-7(13)11-5-4-10/h4-6,10H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyMXVFHGWEBGKPEU-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.41
Rot. Bonds4

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

tert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate (PubChem CID 11557580) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is tert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate
PubChem CID11557580
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Nametert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCN
InChIInChI=1S/C9H19N3O3/c1-9(2,3)15-8(14)12-6-7(13)11-5-4-10/h4-6,10H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyMXVFHGWEBGKPEU-UHFFFAOYSA-N
XLogP-0.41
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate (CID 11557580) is tert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCCN.
What is the InChIKey of tert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate?
The InChIKey is MXVFHGWEBGKPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-9(2,3)15-8(14)12-6-7(13)11-5-4-10/h4-6,10H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of tert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2-aminoethylamino)-2-oxoethyl]carbamate has a molecular weight of 217.27 g/mol, XLogP of -0.41, 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-aminoethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 11557580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).