[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate

C11H19NO4 — CID 89280637

IUPAC[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate
SMILESC=CC[C@@H](COC=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-6-9(7-15-8-13)12-10(14)16-11(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,12,14)/t9-/m0/s1
InChIKeyYDSWYLQEWVCLLZ-VIFPVBQESA-N
MW229.28 g/mol
LogP1.63
Rot. Bonds6

About [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate

[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate (PubChem CID 89280637) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate.

Molecular Properties

Compound Name[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate
PubChem CID89280637
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate
SMILESC=CC[C@@H](COC=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-6-9(7-15-8-13)12-10(14)16-11(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,12,14)/t9-/m0/s1
InChIKeyYDSWYLQEWVCLLZ-VIFPVBQESA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 9837499
Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 10857232
rac-tert-butyl N-[(3R,4S)-4-ethenyloxolan-3-yl]carbamate
CID 138039731
Ethyl 2-{[(tert-butoxy)carbonyl]amino}pent-4-enoate
CID 11311085
(R)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 58169888
tert-butyl N-[(1S)-1-methylbut-3-enyl]carbamate
CID 122432452
tert-butyl N-[(2R,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 45103018
(2R)-2-(tert-Butyloxycarbonylamino)-4-pentenoic acid ethyl ester
CID 10399528
Carbamic acid, [(1R)-1-(hydroxymethyl)-3-butenyl]-, 1,1-dimethylethyl ester
CID 11106388
tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate
CID 14153342
(S)-tert-butyl (1-hydroxypent-4-en-2-yl)carbamate
CID 14153343
(S)-2-tert-Butoxycarbonylamino-pent-4-enoic acid ethyl ester
CID 59280253

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate?
The IUPAC name of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate (CID 89280637) is [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate.
What is the SMILES notation for [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate?
The canonical SMILES for [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate is C=CC[C@@H](COC=O)NC(=O)OC(C)(C)C.
What is the InChIKey of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate?
The InChIKey is YDSWYLQEWVCLLZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-6-9(7-15-8-13)12-10(14)16-11(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,12,14)/t9-/m0/s1.
What are the key properties of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate?
[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate has a molecular weight of 229.28 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate is sourced from PubChem (CID 89280637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).