tert-butyl N-(4-amino-3-oxobutyl)carbamate

C9H18N2O3 — CID 96619413

IUPACtert-butyl N-(4-amino-3-oxobutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)CN
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-5-4-7(12)6-10/h4-6,10H2,1-3H3,(H,11,13)
InChIKeyZXMBWCABWCFODT-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.43
Rot. Bonds4

About tert-butyl N-(4-amino-3-oxobutyl)carbamate

tert-butyl N-(4-amino-3-oxobutyl)carbamate (PubChem CID 96619413) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-(4-amino-3-oxobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-3-oxobutyl)carbamate
PubChem CID96619413
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-(4-amino-3-oxobutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)CN
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-5-4-7(12)6-10/h4-6,10H2,1-3H3,(H,11,13)
InChIKeyZXMBWCABWCFODT-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-chloro-3-oxobutyl)carbamate
CID 104700691
8-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dioxooctanoic acid
CID 175573604
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
CID 23591745
2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid
CID 121437627
tert-butyl N-(3-hydroxypent-3-enyl)carbamate
CID 118047416
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454
tert-butyl N-[3-oxo-3-(sulfanylamino)propyl]carbamate
CID 91112979
tert-butyl N-[4-(3-aminopropanoylamino)butyl]carbamate
CID 175666351

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-3-oxobutyl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-3-oxobutyl)carbamate (CID 96619413) is tert-butyl N-(4-amino-3-oxobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-3-oxobutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-3-oxobutyl)carbamate is CC(C)(C)OC(=O)NCCC(=O)CN.
What is the InChIKey of tert-butyl N-(4-amino-3-oxobutyl)carbamate?
The InChIKey is ZXMBWCABWCFODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-5-4-7(12)6-10/h4-6,10H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(4-amino-3-oxobutyl)carbamate?
tert-butyl N-(4-amino-3-oxobutyl)carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-3-oxobutyl)carbamate is sourced from PubChem (CID 96619413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).