tert-butyl N-(3-hydroxypent-3-enyl)carbamate

C10H19NO3 — CID 118047416

IUPACtert-butyl N-(3-hydroxypent-3-enyl)carbamate
SMILESCC=C(O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-8(12)6-7-11-9(13)14-10(2,3)4/h5,12H,6-7H2,1-4H3,(H,11,13)
InChIKeyCBSWLYQEBPVMDI-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.36
Rot. Bonds3

About tert-butyl N-(3-hydroxypent-3-enyl)carbamate

tert-butyl N-(3-hydroxypent-3-enyl)carbamate (PubChem CID 118047416) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxypent-3-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxypent-3-enyl)carbamate
PubChem CID118047416
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-(3-hydroxypent-3-enyl)carbamate
SMILESCC=C(O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-8(12)6-7-11-9(13)14-10(2,3)4/h5,12H,6-7H2,1-4H3,(H,11,13)
InChIKeyCBSWLYQEBPVMDI-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
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methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
tert-butyl N-(4-chloro-3-oxobutyl)carbamate
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8-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dioxooctanoic acid
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tert-butyl N-(4-amino-3-oxobutyl)carbamate
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tert-butyl N-[3-oxo-3-(sulfanylamino)propyl]carbamate
CID 91112979
(E)-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-4-enoic acid
CID 10444454
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]heptanedioic acid
CID 177138583
3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid
CID 171702836
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxypent-3-enyl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxypent-3-enyl)carbamate (CID 118047416) is tert-butyl N-(3-hydroxypent-3-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxypent-3-enyl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxypent-3-enyl)carbamate is CC=C(O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxypent-3-enyl)carbamate?
The InChIKey is CBSWLYQEBPVMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-8(12)6-7-11-9(13)14-10(2,3)4/h5,12H,6-7H2,1-4H3,(H,11,13).
What are the key properties of tert-butyl N-(3-hydroxypent-3-enyl)carbamate?
tert-butyl N-(3-hydroxypent-3-enyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 2.36, 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-hydroxypent-3-enyl)carbamate is sourced from PubChem (CID 118047416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).