4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate

C14H25NO4 — CID 91717705

IUPAC4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
SMILESC=CCOC(=O)N(C)C(C)C(=O)OCCCC(C)C
InChIInChI=1S/C14H25NO4/c1-6-9-19-14(17)15(5)12(4)13(16)18-10-7-8-11(2)3/h6,11-12H,1,7-10H2,2-5H3
InChIKeyKXKSQYCFKJXPRK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.61
Rot. Bonds8

About 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate

4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate (PubChem CID 91717705) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate.

Molecular Properties

Compound Name4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
PubChem CID91717705
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
SMILESC=CCOC(=O)N(C)C(C)C(=O)OCCCC(C)C
InChIInChI=1S/C14H25NO4/c1-6-9-19-14(17)15(5)12(4)13(16)18-10-7-8-11(2)3/h6,11-12H,1,7-10H2,2-5H3
InChIKeyKXKSQYCFKJXPRK-UHFFFAOYSA-N
XLogP2.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylpentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate
CID 91717720
tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
CID 91717715
propyl 2-[methyl(4-methylpentoxycarbonyl)amino]propanoate
CID 91718694
4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
CID 91713125
hexyl 2-[methyl-[2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91717809
4-methylpentyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725908
3-chloropropyl 2-[3-chloropropoxycarbonyl(methyl)amino]propanoate
CID 91727216
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783
octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
undecyl 2-[decoxycarbonyl(methyl)amino]propanoate
CID 91737902
4-methylpentyl 3-methyl-2-[methyl(propoxycarbonyl)amino]butanoate
CID 91726054

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate?
The IUPAC name of 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate (CID 91717705) is 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate.
What is the SMILES notation for 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate?
The canonical SMILES for 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate is C=CCOC(=O)N(C)C(C)C(=O)OCCCC(C)C.
What is the InChIKey of 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate?
The InChIKey is KXKSQYCFKJXPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-9-19-14(17)15(5)12(4)13(16)18-10-7-8-11(2)3/h6,11-12H,1,7-10H2,2-5H3.
What are the key properties of 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate?
4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate has a molecular weight of 271.36 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate is sourced from PubChem (CID 91717705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).