tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate

C11H21NO4 — CID 164707019

IUPACtert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate
SMILESCOC(C)C(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7(9(13)8(2)15-6)12-10(14)16-11(3,4)5/h7-8H,1-6H3,(H,12,14)
InChIKeyXATOLFXSJSYRKZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.50
Rot. Bonds4

About tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate

tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate (PubChem CID 164707019) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate
PubChem CID164707019
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate
SMILESCOC(C)C(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7(9(13)8(2)15-6)12-10(14)16-11(3,4)5/h7-8H,1-6H3,(H,12,14)
InChIKeyXATOLFXSJSYRKZ-UHFFFAOYSA-N
XLogP1.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
CID 87730682
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 162514710
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
CID 47152929
tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate
CID 87884669
tert-butyl N-(3-bromobut-3-en-2-yl)carbamate
CID 166659302
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
tert-butyl N-(4-bromo-3-oxobutan-2-yl)carbamate
CID 112704269
tert-butyl N-(3-oxopent-4-yn-2-yl)carbamate
CID 85365205

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate (CID 164707019) is tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate is COC(C)C(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate?
The InChIKey is XATOLFXSJSYRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(9(13)8(2)15-6)12-10(14)16-11(3,4)5/h7-8H,1-6H3,(H,12,14).
What are the key properties of tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate?
tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate is sourced from PubChem (CID 164707019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).