tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate

C10H20N2O3 — CID 18435495

IUPACtert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate
SMILESCN(C)C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)11-7-6-8(13)12(4)5/h6-7H2,1-5H3,(H,11,14)
InChIKeyGMPAJBACLZYLAS-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.99
Rot. Bonds3

About tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate

tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate (PubChem CID 18435495) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate
PubChem CID18435495
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate
SMILESCN(C)C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)11-7-6-8(13)12(4)5/h6-7H2,1-5H3,(H,11,14)
InChIKeyGMPAJBACLZYLAS-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-(dimethylamino)-3-oxopropyl]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-[3-(dimethylamino)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate (CID 18435495) is tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate is CN(C)C(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate?
The InChIKey is GMPAJBACLZYLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)11-7-6-8(13)12(4)5/h6-7H2,1-5H3,(H,11,14).
What are the key properties of tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate?
tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(dimethylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 18435495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).