2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate

C10H16N2O3 — CID 146640765

IUPAC2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)N=C(C)CC
InChIInChI=1S/C10H16N2O3/c1-4-8(3)12-10(14)11-6-7-15-9(13)5-2/h5H,2,4,6-7H2,1,3H3,(H,11,14)
InChIKeyQMIVPVAVGXFANJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.30
Rot. Bonds5

About 2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate

2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate (PubChem CID 146640765) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate
PubChem CID146640765
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)N=C(C)CC
InChIInChI=1S/C10H16N2O3/c1-4-8(3)12-10(14)11-6-7-15-9(13)5-2/h5H,2,4,6-7H2,1,3H3,(H,11,14)
InChIKeyQMIVPVAVGXFANJ-UHFFFAOYSA-N
XLogP1.30
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate
CID 87421458
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate
CID 139748458
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
CID 148821363
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
butan-2-imine;molecular hydrogen;2-prop-2-enoyloxyethylcarbamic acid
CID 145345540
2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate
CID 91094626
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
butan-2-one;butyl prop-2-enoate
CID 88737685

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate (CID 146640765) is 2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)N=C(C)CC.
What is the InChIKey of 2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate?
The InChIKey is QMIVPVAVGXFANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-8(3)12-10(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-ylidenecarbamoylamino)ethyl prop-2-enoate?
2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate has a molecular weight of 212.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 146640765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).