tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate

C11H21NO3 — CID 177029791

IUPACtert-butyl N-(2-methoxypent-1-en-3-yl)carbamate
SMILESC=C(OC)C(CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-7-9(8(2)14-6)12-10(13)15-11(3,4)5/h9H,2,7H2,1,3-6H3,(H,12,13)
InChIKeyWNZLXHFSZMDSIG-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.45
Rot. Bonds4

About tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate

tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate (PubChem CID 177029791) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxypent-1-en-3-yl)carbamate
PubChem CID177029791
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(2-methoxypent-1-en-3-yl)carbamate
SMILESC=C(OC)C(CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-7-9(8(2)14-6)12-10(13)15-11(3,4)5/h9H,2,7H2,1,3-6H3,(H,12,13)
InChIKeyWNZLXHFSZMDSIG-UHFFFAOYSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
CID 162513184
CID 162513184
chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718
propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391129
methyl 4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 59676163
methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
CID 86588879
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391128
tert-butyl N-[(2S)-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]carbamate
CID 58935373
tert-butyl N-[(2S)-1-(4,4-difluorocyclohexyl)-3-methoxybut-3-en-2-yl]carbamate
CID 143487086
tert-butyl N-[(E)-4-(methylidenecarbamoyl)hex-4-en-3-yl]carbamate
CID 123137244
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 4712492

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate (CID 177029791) is tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate is C=C(OC)C(CC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate?
The InChIKey is WNZLXHFSZMDSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-9(8(2)14-6)12-10(13)15-11(3,4)5/h9H,2,7H2,1,3-6H3,(H,12,13).
What are the key properties of tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate?
tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate is sourced from PubChem (CID 177029791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).