methyl 4-methyl-2-(prop-2-enoylamino)pentanoate

C10H17NO3 — CID 43623220

IUPACmethyl 4-methyl-2-(prop-2-enoylamino)pentanoate
SMILESC=CC(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H17NO3/c1-5-9(12)11-8(6-7(2)3)10(13)14-4/h5,7-8H,1,6H2,2-4H3,(H,11,12)
InChIKeyGEWPDSDRRWOJQF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.88
Rot. Bonds5

About methyl 4-methyl-2-(prop-2-enoylamino)pentanoate

methyl 4-methyl-2-(prop-2-enoylamino)pentanoate (PubChem CID 43623220) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 4-methyl-2-(prop-2-enoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(prop-2-enoylamino)pentanoate
PubChem CID43623220
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 4-methyl-2-(prop-2-enoylamino)pentanoate
SMILESC=CC(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H17NO3/c1-5-9(12)11-8(6-7(2)3)10(13)14-4/h5,7-8H,1,6H2,2-4H3,(H,11,12)
InChIKeyGEWPDSDRRWOJQF-UHFFFAOYSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(prop-2-enoylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(prop-2-enoylamino)pentanoate (CID 43623220) is methyl 4-methyl-2-(prop-2-enoylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(prop-2-enoylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(prop-2-enoylamino)pentanoate is C=CC(=O)NC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-methyl-2-(prop-2-enoylamino)pentanoate?
The InChIKey is GEWPDSDRRWOJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-9(12)11-8(6-7(2)3)10(13)14-4/h5,7-8H,1,6H2,2-4H3,(H,11,12).
What are the key properties of methyl 4-methyl-2-(prop-2-enoylamino)pentanoate?
methyl 4-methyl-2-(prop-2-enoylamino)pentanoate has a molecular weight of 199.25 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(prop-2-enoylamino)pentanoate is sourced from PubChem (CID 43623220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).