[(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate

C9H18N2O2 — CID 175162000

IUPAC[(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC/C=C\CN
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)13-7-5-4-6-10/h4-5H,6-7,10H2,1-3H3,(H,11,12)/b5-4-
InChIKeyLHJPDHMVYYMJLG-PLNGDYQASA-N
MW186.25 g/mol
LogP1.03
Rot. Bonds3

About [(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate

[(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate (PubChem CID 175162000) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate
PubChem CID175162000
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name[(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC/C=C\CN
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)13-7-5-4-6-10/h4-5H,6-7,10H2,1-3H3,(H,11,12)/b5-4-
InChIKeyLHJPDHMVYYMJLG-PLNGDYQASA-N
XLogP1.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
(2-amino-2-cyanopropyl) N-tert-butylcarbamate
CID 177248875
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
CID 175489678
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
2,2-bis(prop-2-enoxycarbonylamino)propanoic acid
CID 88657328
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
CID 142744871
2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
CID 143586644

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate?
The IUPAC name of [(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate (CID 175162000) is [(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate.
What is the SMILES notation for [(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate?
The canonical SMILES for [(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC/C=C\CN.
What is the InChIKey of [(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate?
The InChIKey is LHJPDHMVYYMJLG-PLNGDYQASA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)13-7-5-4-6-10/h4-5H,6-7,10H2,1-3H3,(H,11,12)/b5-4-.
What are the key properties of [(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate?
[(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate is sourced from PubChem (CID 175162000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).