methyl 2-amino-2-hydroxytetradecanoate

C15H31NO3 — CID 174591192

IUPACmethyl 2-amino-2-hydroxytetradecanoate
SMILESCCCCCCCCCCCCC(N)(O)C(=O)OC
InChIInChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-10-11-12-13-15(16,18)14(17)19-2/h18H,3-13,16H2,1-2H3
InChIKeyDIFFYLBPCGWFQS-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.12
Rot. Bonds12

About methyl 2-amino-2-hydroxytetradecanoate

methyl 2-amino-2-hydroxytetradecanoate (PubChem CID 174591192) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is methyl 2-amino-2-hydroxytetradecanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-hydroxytetradecanoate
PubChem CID174591192
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Namemethyl 2-amino-2-hydroxytetradecanoate
SMILESCCCCCCCCCCCCC(N)(O)C(=O)OC
InChIInChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-10-11-12-13-15(16,18)14(17)19-2/h18H,3-13,16H2,1-2H3
InChIKeyDIFFYLBPCGWFQS-UHFFFAOYSA-N
XLogP3.12
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;methyl 2-amino-2-hydroxytetradecanoate
CID 174591191
methyl 2,5-diamino-2-hydroxypentanoate
CID 139916630
methyl 2-hydroxy-2-methylnonanoate
CID 62212880
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
methyl 2,2-difluoroheptadecanoate
CID 150501536
methyl 2-hydroxy-2-methylheptanoate
CID 80558778
methyl 2,2-difluorodecanoate
CID 22025599
methyl hydrogen carbonate;9-octylheptadecan-9-amine
CID 173070784
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
methyl 2-chloro-2-methyldodecanoate
CID 14293501
2,2-bis(methoxycarbonyl)decanoic acid
CID 137333541

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-hydroxytetradecanoate?
The IUPAC name of methyl 2-amino-2-hydroxytetradecanoate (CID 174591192) is methyl 2-amino-2-hydroxytetradecanoate.
What is the SMILES notation for methyl 2-amino-2-hydroxytetradecanoate?
The canonical SMILES for methyl 2-amino-2-hydroxytetradecanoate is CCCCCCCCCCCCC(N)(O)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-hydroxytetradecanoate?
The InChIKey is DIFFYLBPCGWFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-10-11-12-13-15(16,18)14(17)19-2/h18H,3-13,16H2,1-2H3.
What are the key properties of methyl 2-amino-2-hydroxytetradecanoate?
methyl 2-amino-2-hydroxytetradecanoate has a molecular weight of 273.42 g/mol, XLogP of 3.12, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-hydroxytetradecanoate is sourced from PubChem (CID 174591192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).