2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate

C10H16N2O4 — CID 87421458

IUPAC2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)ON=C(C)CC
InChIInChI=1S/C10H16N2O4/c1-4-8(3)12-16-10(14)11-6-7-15-9(13)5-2/h5H,2,4,6-7H2,1,3H3,(H,11,14)
InChIKeyGOESYAQSNUHEDV-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.23
Rot. Bonds6

About 2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate

2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate (PubChem CID 87421458) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate
PubChem CID87421458
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)ON=C(C)CC
InChIInChI=1S/C10H16N2O4/c1-4-8(3)12-16-10(14)11-6-7-15-9(13)5-2/h5H,2,4,6-7H2,1,3H3,(H,11,14)
InChIKeyGOESYAQSNUHEDV-UHFFFAOYSA-N
XLogP1.23
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate
CID 146640765
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-[[(Z)-butan-2-ylideneamino]oxycarbonylamino]ethyl 2-(2-aminoethyl)-2,3,3-trimethylbutanoate
CID 145353862
2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate
CID 91094626
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
CID 148821363
dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium
CID 123873336
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
2-[[2-(hydroxymethyl)-2-(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butoxy]carbonylamino]ethyl prop-2-enoate
CID 162475101

Frequently Asked Questions

What is the IUPAC name of 2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate (CID 87421458) is 2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)ON=C(C)CC.
What is the InChIKey of 2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is GOESYAQSNUHEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-4-8(3)12-16-10(14)11-6-7-15-9(13)5-2/h5H,2,4,6-7H2,1,3H3,(H,11,14).
What are the key properties of 2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate?
2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 228.25 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 87421458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).