tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate

C11H22N2O3 — CID 178201497

IUPACtert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate
SMILESCOCC(/C=C/CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-9(8-15-4)6-5-7-12/h5-6,9H,7-8,12H2,1-4H3,(H,13,14)/b6-5+
InChIKeyBFZCAEYNHWBZNW-AATRIKPKSA-N
MW230.31 g/mol
LogP1.04
Rot. Bonds5

About tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate

tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate (PubChem CID 178201497) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate
PubChem CID178201497
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate
SMILESCOCC(/C=C/CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-9(8-15-4)6-5-7-12/h5-6,9H,7-8,12H2,1-4H3,(H,13,14)/b6-5+
InChIKeyBFZCAEYNHWBZNW-AATRIKPKSA-N
XLogP1.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 87494634
7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoic acid
CID 73453573
tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate
CID 23239903
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
tert-butyl N-[(2R,3R)-3-amino-1-methoxybutan-2-yl]carbamate
CID 131733528
tert-butyl N-[(E,4S)-8-amino-2,7,7-trimethyl-8-oxooct-5-en-4-yl]carbamate
CID 164848968
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-[[(2S)-1-methoxy-3-oxopropan-2-yl]amino]carbamate
CID 135156035
methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 123473342
methyl 6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-enoate
CID 546290

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate (CID 178201497) is tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate is COCC(/C=C/CN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate?
The InChIKey is BFZCAEYNHWBZNW-AATRIKPKSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-9(8-15-4)6-5-7-12/h5-6,9H,7-8,12H2,1-4H3,(H,13,14)/b6-5+.
What are the key properties of tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate?
tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate is sourced from PubChem (CID 178201497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).