tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate

C11H21NO3 — CID 105468762

IUPACtert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(CCC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyUFWDDENALBDFOJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.22
Rot. Bonds4

About tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate

tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate (PubChem CID 105468762) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
PubChem CID105468762
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(CCC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyUFWDDENALBDFOJ-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 141040791
tert-butyl N-[2-(octylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245800
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646
tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]-N-propan-2-ylcarbamate
CID 107245945
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245904
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl N-(2,2-dimethyl-5-oxopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 170702034
tert-butyl N-[2-[(3-methylcyclobutyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245712
tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate
CID 58007136
tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate
CID 10355020
tert-butyl N-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-N-propan-2-ylcarbamate
CID 54372955
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pent-4-en-2-yl]amino]acetic acid
CID 134594143

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate (CID 105468762) is tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate is CC(C)N(CCC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate?
The InChIKey is UFWDDENALBDFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate?
tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 105468762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).