methyl 4-oxo-4-(tetradecylamino)butanoate

C19H37NO3 — CID 71386644

IUPACmethyl 4-oxo-4-(tetradecylamino)butanoate
SMILESCCCCCCCCCCCCCCNC(=O)CCC(=O)OC
InChIInChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18(21)15-16-19(22)23-2/h3-17H2,1-2H3,(H,20,21)
InChIKeyDYZNCXRWTDSROX-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.76
Rot. Bonds16

About methyl 4-oxo-4-(tetradecylamino)butanoate

methyl 4-oxo-4-(tetradecylamino)butanoate (PubChem CID 71386644) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is methyl 4-oxo-4-(tetradecylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-(tetradecylamino)butanoate
PubChem CID71386644
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Namemethyl 4-oxo-4-(tetradecylamino)butanoate
SMILESCCCCCCCCCCCCCCNC(=O)CCC(=O)OC
InChIInChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18(21)15-16-19(22)23-2/h3-17H2,1-2H3,(H,20,21)
InChIKeyDYZNCXRWTDSROX-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-oxo-4-(tetradecylamino)butanoate 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-(Nonylamino)-4-oxobutanoic acid
CID 454082
4-(Octylamino)-4-oxobutanoic acid
CID 2063455
Methyl 4-(decylamino)butanoate hydrochloride
CID 71755516
Butanoic acid, 4-(hexadecylamino)-4-oxo-, methyl ester
CID 3322722
Methyl 4-(docosanoylamino)butanoate
CID 150241085
4-(Octadecylamino)-4-oxobutanoic acid
CID 19855172
Methyl 4-(decylamino)butanoate
CID 71755517
4-(Dodecylamino)-4-oxobutanoic acid
CID 316047
Methyl 4-(butylamino)-4-oxobutanoate
CID 15207831
4-Oxo-4-(pentacosa-10,12-diynylamino)butanoic acid
CID 101537902
4-[6-(3-Carboxylatopropanoylamino)hexylamino]-4-oxobutanoate;bis(tetradecylazanium)
CID 139045601
4,4,5,5,5-pentafluoropentyl 3-(N-dodecylcarbamoyl)propanoate
CID 5036856

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-(tetradecylamino)butanoate?
The IUPAC name of methyl 4-oxo-4-(tetradecylamino)butanoate (CID 71386644) is methyl 4-oxo-4-(tetradecylamino)butanoate.
What is the SMILES notation for methyl 4-oxo-4-(tetradecylamino)butanoate?
The canonical SMILES for methyl 4-oxo-4-(tetradecylamino)butanoate is CCCCCCCCCCCCCCNC(=O)CCC(=O)OC.
What is the InChIKey of methyl 4-oxo-4-(tetradecylamino)butanoate?
The InChIKey is DYZNCXRWTDSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18(21)15-16-19(22)23-2/h3-17H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-oxo-4-(tetradecylamino)butanoate?
methyl 4-oxo-4-(tetradecylamino)butanoate has a molecular weight of 327.51 g/mol, XLogP of 4.76, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-(tetradecylamino)butanoate is sourced from PubChem (CID 71386644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).