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

C10H19NO2 — CID 22094976

IUPACmethyl 4-methyl-2-(prop-2-enylamino)pentanoate
SMILESC=CCNC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-5-6-11-9(7-8(2)3)10(12)13-4/h5,8-9,11H,1,6-7H2,2-4H3
InChIKeyWEIWEPKUNKYJCT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.35
Rot. Bonds6

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

methyl 4-methyl-2-(prop-2-enylamino)pentanoate (PubChem CID 22094976) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 4-methyl-2-(prop-2-enylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(prop-2-enylamino)pentanoate
PubChem CID22094976
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 4-methyl-2-(prop-2-enylamino)pentanoate
SMILESC=CCNC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-5-6-11-9(7-8(2)3)10(12)13-4/h5,8-9,11H,1,6-7H2,2-4H3
InChIKeyWEIWEPKUNKYJCT-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(prop-2-enylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(prop-2-enylamino)pentanoate (CID 22094976) is methyl 4-methyl-2-(prop-2-enylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(prop-2-enylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(prop-2-enylamino)pentanoate is C=CCNC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-methyl-2-(prop-2-enylamino)pentanoate?
The InChIKey is WEIWEPKUNKYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-11-9(7-8(2)3)10(12)13-4/h5,8-9,11H,1,6-7H2,2-4H3.
What are the key properties of methyl 4-methyl-2-(prop-2-enylamino)pentanoate?
methyl 4-methyl-2-(prop-2-enylamino)pentanoate has a molecular weight of 185.27 g/mol, XLogP of 1.35, 6 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-enylamino)pentanoate is sourced from PubChem (CID 22094976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).