2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate

C10H17NO3 — CID 167093318

IUPAC2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate
SMILESC=CC(=O)NCCOC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO3/c1-5-8(12)11-6-7-14-9(13)10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,12)
InChIKeyAXBXQMSWKZREFV-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.88
Rot. Bonds4

About 2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate

2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate (PubChem CID 167093318) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate
PubChem CID167093318
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate
SMILESC=CC(=O)NCCOC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO3/c1-5-8(12)11-6-7-14-9(13)10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,12)
InChIKeyAXBXQMSWKZREFV-UHFFFAOYSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.88
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-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
CID 143586644
2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87097476
ethenyl 2-(prop-2-enoylamino)ethyl carbonate
CID 146262036
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820
tert-butyl N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 101164544
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
2-[2-[2-[2-(2,2-dimethylpropanoyloxy)ethylcarbamoyloxy]ethylsulfanyl]ethoxycarbonylamino]ethyl 2,2-dimethylpropanoate
CID 176588653
2-prop-2-enoxyethyl 2,2-dimethylpropanoate
CID 89277080
N-(3-aminopropyl)prop-2-enamide;chloromethane
CID 126509380
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate (CID 167093318) is 2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate is C=CC(=O)NCCOC(=O)C(C)(C)C.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate?
The InChIKey is AXBXQMSWKZREFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-8(12)11-6-7-14-9(13)10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,12).
What are the key properties of 2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate?
2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate has a molecular weight of 199.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 167093318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).