azane;methyl 2-amino-2-hydroxytetradecanoate

C15H34N2O3 — CID 174591191

IUPACazane;methyl 2-amino-2-hydroxytetradecanoate
SMILESCCCCCCCCCCCCC(N)(O)C(=O)OC.N
InChIInChI=1S/C15H31NO3.H3N/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;1H3
InChIKeyFELQSNLQRYBJQB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.28
Rot. Bonds12

About azane;methyl 2-amino-2-hydroxytetradecanoate

azane;methyl 2-amino-2-hydroxytetradecanoate (PubChem CID 174591191) has the molecular formula C15H34N2O3 and a molecular weight of 290.45 g/mol. Its IUPAC name is azane;methyl 2-amino-2-hydroxytetradecanoate.

Molecular Properties

Compound Nameazane;methyl 2-amino-2-hydroxytetradecanoate
PubChem CID174591191
Molecular FormulaC15H34N2O3
Molecular Weight290.45 g/mol
Exact Mass290.26
IUPAC Nameazane;methyl 2-amino-2-hydroxytetradecanoate
SMILESCCCCCCCCCCCCC(N)(O)C(=O)OC.N
InChIInChI=1S/C15H31NO3.H3N/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;1H3
InChIKeyFELQSNLQRYBJQB-UHFFFAOYSA-N
XLogP3.28
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

methyl 2-amino-2-hydroxytetradecanoate
CID 174591192
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 azane;methyl 2-amino-2-hydroxytetradecanoate?
The IUPAC name of azane;methyl 2-amino-2-hydroxytetradecanoate (CID 174591191) is azane;methyl 2-amino-2-hydroxytetradecanoate.
What is the SMILES notation for azane;methyl 2-amino-2-hydroxytetradecanoate?
The canonical SMILES for azane;methyl 2-amino-2-hydroxytetradecanoate is CCCCCCCCCCCCC(N)(O)C(=O)OC.N.
What is the InChIKey of azane;methyl 2-amino-2-hydroxytetradecanoate?
The InChIKey is FELQSNLQRYBJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3.H3N/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;1H3.
What are the key properties of azane;methyl 2-amino-2-hydroxytetradecanoate?
azane;methyl 2-amino-2-hydroxytetradecanoate has a molecular weight of 290.45 g/mol, XLogP of 3.28, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl 2-amino-2-hydroxytetradecanoate is sourced from PubChem (CID 174591191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).