tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate

C11H21N3O4 — CID 4385

IUPACtert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyOAXZAMSRJZWMEV-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.11
Rot. Bonds4

About tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 4385) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID4385
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Nametert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyOAXZAMSRJZWMEV-UHFFFAOYSA-N
XLogP-0.11
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate (CID 4385) is tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)C(C)NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is OAXZAMSRJZWMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17).
What are the key properties of tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 259.31 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 4385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).