propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate

C10H17NO3 — CID 170269485

IUPACpropan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)OC(C)C
InChIInChI=1S/C10H17NO3/c1-6-8(12)11-10(4,5)9(13)14-7(2)3/h6-7H,1H2,2-5H3,(H,11,12)
InChIKeyLNBXVOOBQXKZBN-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds4

About propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate

propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate (PubChem CID 170269485) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate
PubChem CID170269485
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namepropan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)OC(C)C
InChIInChI=1S/C10H17NO3/c1-6-8(12)11-10(4,5)9(13)14-7(2)3/h6-7H,1H2,2-5H3,(H,11,12)
InChIKeyLNBXVOOBQXKZBN-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetylamino-2-methylbut-3-enoic acid, ethyl ester
CID 550995
Ethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 12477498
4-Ethenoxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033774
Prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033780
Methyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 43700007
Butan-2-yl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate
CID 53704159
2-Cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 53803411
Butyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 58645004
[3-Acetyloxy-2-(acetyloxymethyl)-2-(prop-2-enoylamino)propyl] acetate
CID 59012783
Prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate
CID 87243067
4-Prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 87326522
Oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 89238037

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate?
The IUPAC name of propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate (CID 170269485) is propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate.
What is the SMILES notation for propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate?
The canonical SMILES for propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate is C=CC(=O)NC(C)(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate?
The InChIKey is LNBXVOOBQXKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-8(12)11-10(4,5)9(13)14-7(2)3/h6-7H,1H2,2-5H3,(H,11,12).
What are the key properties of propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate?
propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 170269485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).