2-(2-methylpropanoylamino)ethyl prop-2-enoate

C9H15NO3 — CID 45120227

IUPAC2-(2-methylpropanoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)C(C)C
InChIInChI=1S/C9H15NO3/c1-4-8(11)13-6-5-10-9(12)7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyVOHGKWWKLYEEJF-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.49
Rot. Bonds5

About 2-(2-methylpropanoylamino)ethyl prop-2-enoate

2-(2-methylpropanoylamino)ethyl prop-2-enoate (PubChem CID 45120227) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)ethyl prop-2-enoate
PubChem CID45120227
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(2-methylpropanoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)C(C)C
InChIInChI=1S/C9H15NO3/c1-4-8(11)13-6-5-10-9(12)7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyVOHGKWWKLYEEJF-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
(2-methylpropanoylamino) prop-2-enoate
CID 176734642
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
CID 148821363
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-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate
CID 90296516
2-[1-[2-[2-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]propoxy]propoxy]propan-2-yloxycarbonylamino]ethyl prop-2-enoate
CID 153411308
2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate
CID 58252677
2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate
CID 138533893

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(2-methylpropanoylamino)ethyl prop-2-enoate (CID 45120227) is 2-(2-methylpropanoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-methylpropanoylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-methylpropanoylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)C(C)C.
What is the InChIKey of 2-(2-methylpropanoylamino)ethyl prop-2-enoate?
The InChIKey is VOHGKWWKLYEEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-8(11)13-6-5-10-9(12)7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12).
What are the key properties of 2-(2-methylpropanoylamino)ethyl prop-2-enoate?
2-(2-methylpropanoylamino)ethyl prop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 45120227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).