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

C9H17N3O4 — CID 143543643

IUPACtert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=O)CNCC(N)=O
InChIInChI=1S/C9H17N3O4/c1-9(2,3)16-8(15)12-7(14)5-11-4-6(10)13/h11H,4-5H2,1-3H3,(H2,10,13)(H,12,14,15)
InChIKeyCLNQIJHFPBGAHA-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.89
Rot. Bonds4

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

tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate (PubChem CID 143543643) 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]acetyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate
PubChem CID143543643
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Nametert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=O)CNCC(N)=O
InChIInChI=1S/C9H17N3O4/c1-9(2,3)16-8(15)12-7(14)5-11-4-6(10)13/h11H,4-5H2,1-3H3,(H2,10,13)(H,12,14,15)
InChIKeyCLNQIJHFPBGAHA-UHFFFAOYSA-N
XLogP-0.89
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
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 ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate (CID 143543643) is tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate is CC(C)(C)OC(=O)NC(=O)CNCC(N)=O.
What is the InChIKey of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate?
The InChIKey is CLNQIJHFPBGAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-9(2,3)16-8(15)12-7(14)5-11-4-6(10)13/h11H,4-5H2,1-3H3,(H2,10,13)(H,12,14,15).
What are the key properties of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate?
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate has a molecular weight of 231.25 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate is sourced from PubChem (CID 143543643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).