methyl 3-(dodecanoylamino)propanoate

C16H31NO3 — CID 23135886

IUPACmethyl 3-(dodecanoylamino)propanoate
SMILESCCCCCCCCCCCC(=O)NCCC(=O)OC
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-12-15(18)17-14-13-16(19)20-2/h3-14H2,1-2H3,(H,17,18)
InChIKeyDIPNQRYMIPDROO-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.59
Rot. Bonds13

About methyl 3-(dodecanoylamino)propanoate

methyl 3-(dodecanoylamino)propanoate (PubChem CID 23135886) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 3-(dodecanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(dodecanoylamino)propanoate
PubChem CID23135886
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Namemethyl 3-(dodecanoylamino)propanoate
SMILESCCCCCCCCCCCC(=O)NCCC(=O)OC
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-12-15(18)17-14-13-16(19)20-2/h3-14H2,1-2H3,(H,17,18)
InChIKeyDIPNQRYMIPDROO-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dodecanoylamino)propanoate?
The IUPAC name of methyl 3-(dodecanoylamino)propanoate (CID 23135886) is methyl 3-(dodecanoylamino)propanoate.
What is the SMILES notation for methyl 3-(dodecanoylamino)propanoate?
The canonical SMILES for methyl 3-(dodecanoylamino)propanoate is CCCCCCCCCCCC(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-(dodecanoylamino)propanoate?
The InChIKey is DIPNQRYMIPDROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-12-15(18)17-14-13-16(19)20-2/h3-14H2,1-2H3,(H,17,18).
What are the key properties of methyl 3-(dodecanoylamino)propanoate?
methyl 3-(dodecanoylamino)propanoate has a molecular weight of 285.43 g/mol, XLogP of 3.59, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dodecanoylamino)propanoate is sourced from PubChem (CID 23135886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).