methyl (3S)-3-aminotetradecanoate

C15H31NO2 — CID 162514819

IUPACmethyl (3S)-3-aminotetradecanoate
SMILESCCCCCCCCCCC[C@H](N)CC(=O)OC
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14H,3-13,16H2,1-2H3/t14-/m0/s1
InChIKeyOPLUEZJZNIJNMS-AWEZNQCLSA-N
MW257.42 g/mol
LogP3.80
Rot. Bonds12

About methyl (3S)-3-aminotetradecanoate

methyl (3S)-3-aminotetradecanoate (PubChem CID 162514819) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is methyl (3S)-3-aminotetradecanoate.

Molecular Properties

Compound Namemethyl (3S)-3-aminotetradecanoate
PubChem CID162514819
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Namemethyl (3S)-3-aminotetradecanoate
SMILESCCCCCCCCCCC[C@H](N)CC(=O)OC
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14H,3-13,16H2,1-2H3/t14-/m0/s1
InChIKeyOPLUEZJZNIJNMS-AWEZNQCLSA-N
XLogP3.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (3S)-3-aminotetradecanoate 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

butyl 3-aminooctanoate
CID 87883876
methyl 3-ethyldecanoate
CID 154021576
methyl 3-methylnonadecanoate
CID 71374081
tert-butyl (3S)-3-aminodecanoate
CID 165357180
methyl 3-fluorononanoate
CID 57115724
methyl 3,6-dimethyltetracosanoate
CID 568165
3-aminoundecanamide
CID 154005326
3-aminononanoic acid
CID 2832746
dimethyl 4-nonylheptanedioate
CID 168749478
methyl 3,5-dimethyldodecanoate
CID 56935975
methyl (3R,5S)-3,5-dihydroxyoctadecanoate
CID 102207188
methyl 2-aminoheptadecanoate
CID 140839752

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-aminotetradecanoate?
The IUPAC name of methyl (3S)-3-aminotetradecanoate (CID 162514819) is methyl (3S)-3-aminotetradecanoate.
What is the SMILES notation for methyl (3S)-3-aminotetradecanoate?
The canonical SMILES for methyl (3S)-3-aminotetradecanoate is CCCCCCCCCCC[C@H](N)CC(=O)OC.
What is the InChIKey of methyl (3S)-3-aminotetradecanoate?
The InChIKey is OPLUEZJZNIJNMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14H,3-13,16H2,1-2H3/t14-/m0/s1.
What are the key properties of methyl (3S)-3-aminotetradecanoate?
methyl (3S)-3-aminotetradecanoate has a molecular weight of 257.42 g/mol, XLogP of 3.80, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-aminotetradecanoate is sourced from PubChem (CID 162514819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).