tert-butyl N-(3-amino-3-oxopropyl)carbamate

C8H16N2O3 — CID 15429099

IUPACtert-butyl N-(3-amino-3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)10-5-4-6(9)11/h4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyMYIHCTNHDMVMEQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.39
Rot. Bonds3

About tert-butyl N-(3-amino-3-oxopropyl)carbamate

tert-butyl N-(3-amino-3-oxopropyl)carbamate (PubChem CID 15429099) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is tert-butyl N-(3-amino-3-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-3-oxopropyl)carbamate
PubChem CID15429099
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nametert-butyl N-(3-amino-3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)10-5-4-6(9)11/h4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyMYIHCTNHDMVMEQ-UHFFFAOYSA-N
XLogP0.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3-amino-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-(4-aminobutyl)carbamate
CID 4351
Sakacin P
CID 383827
tert-Butyl (3-aminopropyl)carbamate
CID 2735700
Tert-butyl N-butylcarbamate
CID 4271883
tert-butyl N-(3-aminopropyl)-N-methylcarbamate
CID 2756543
1,1-Dimethylethyl N-(3-((3-aminopropyl)amino)propyl)carbamate
CID 2786632
Methyl 3-(((tert-butoxy)carbonyl)amino)propanoate
CID 11687095
tert-butyl N-(3-oxobutyl)carbamate
CID 12111481
tert-butyl N-(4-isocyanobutyl)carbamate
CID 55265307
tert-butyl N-(3-oxopentyl)carbamate
CID 89229060
N-(tert-Butoxycarbonyl)-2-methyl-1,3-diaminopropane
CID 44629801
tert-butyl N-(3-(methylamino)propyl)carbamate
CID 11309987

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-3-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-3-oxopropyl)carbamate (CID 15429099) is tert-butyl N-(3-amino-3-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-3-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-3-oxopropyl)carbamate is CC(C)(C)OC(=O)NCCC(N)=O.
What is the InChIKey of tert-butyl N-(3-amino-3-oxopropyl)carbamate?
The InChIKey is MYIHCTNHDMVMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)10-5-4-6(9)11/h4-5H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of tert-butyl N-(3-amino-3-oxopropyl)carbamate?
tert-butyl N-(3-amino-3-oxopropyl)carbamate has a molecular weight of 188.23 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-3-oxopropyl)carbamate is sourced from PubChem (CID 15429099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).