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

C11H20N2O3 — CID 24688554

IUPACtert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)12-7-6-9(14)13-8-4-5-8/h8H,4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyCPENJQXITMQYNE-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.18
Rot. Bonds4

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

tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate (PubChem CID 24688554) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
PubChem CID24688554
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)12-7-6-9(14)13-8-4-5-8/h8H,4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyCPENJQXITMQYNE-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-(cyclopropylamino)-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

Related Compounds

tert-butyl N-[3-oxo-3-(thian-4-ylamino)propyl]carbamate
CID 115599752
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
tert-butyl N-[3-[(1-cyclobutylpiperidin-4-yl)amino]-3-oxopropyl]carbamate
CID 122152143
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390326
tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108558938
tert-butyl N-[3-oxo-3-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]propyl]carbamate
CID 108548224
tert-butyl N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919724
tert-butyl N-[3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919722
tert-butyl N-[3-[[1-[(E)-4,4-dimethylpent-2-enoyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919770
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]-3-oxopropyl]carbamate
CID 61217502
tert-butyl N-[3-oxo-3-[4-(pentanoylamino)piperidin-1-yl]propyl]carbamate
CID 108555481
tert-butyl N-[3-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 55734190

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate (CID 24688554) is tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NC1CC1.
What is the InChIKey of tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate?
The InChIKey is CPENJQXITMQYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)12-7-6-9(14)13-8-4-5-8/h8H,4-7H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate?
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 24688554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).