2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate

C10H16N2O4 — CID 91094626

IUPAC2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)ONC(C)=CC
InChIInChI=1S/C10H16N2O4/c1-4-8(3)12-16-10(14)11-6-7-15-9(13)5-2/h4-5,12H,2,6-7H2,1,3H3,(H,11,14)
InChIKeyVCEUPTCBXZXNCY-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.87
Rot. Bonds6

About 2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate

2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate (PubChem CID 91094626) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate
PubChem CID91094626
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)ONC(C)=CC
InChIInChI=1S/C10H16N2O4/c1-4-8(3)12-16-10(14)11-6-7-15-9(13)5-2/h4-5,12H,2,6-7H2,1,3H3,(H,11,14)
InChIKeyVCEUPTCBXZXNCY-UHFFFAOYSA-N
XLogP0.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate
CID 87421458
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
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-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
CID 170150798
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate
CID 139453995

Frequently Asked Questions

What is the IUPAC name of 2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate (CID 91094626) is 2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)ONC(C)=CC.
What is the InChIKey of 2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is VCEUPTCBXZXNCY-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/h4-5,12H,2,6-7H2,1,3H3,(H,11,14).
What are the key properties of 2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate?
2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 228.25 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 91094626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).