2-amino-2-(sulfanylmethyl)tetradecanoic acid

C15H31NO2S — CID 22056924

IUPAC2-amino-2-(sulfanylmethyl)tetradecanoic acid
SMILESCCCCCCCCCCCCC(N)(CS)C(=O)O
InChIInChI=1S/C15H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-15(16,13-19)14(17)18/h19H,2-13,16H2,1H3,(H,17,18)
InChIKeyNKYABTFVCGYJAE-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.01
Rot. Bonds13

About 2-amino-2-(sulfanylmethyl)tetradecanoic acid

2-amino-2-(sulfanylmethyl)tetradecanoic acid (PubChem CID 22056924) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 2-amino-2-(sulfanylmethyl)tetradecanoic acid.

Molecular Properties

Compound Name2-amino-2-(sulfanylmethyl)tetradecanoic acid
PubChem CID22056924
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name2-amino-2-(sulfanylmethyl)tetradecanoic acid
SMILESCCCCCCCCCCCCC(N)(CS)C(=O)O
InChIInChI=1S/C15H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-15(16,13-19)14(17)18/h19H,2-13,16H2,1H3,(H,17,18)
InChIKeyNKYABTFVCGYJAE-UHFFFAOYSA-N
XLogP4.01
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-amino-2-(sulfanylmethyl)tetradecanoic acid 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

2-Methyl-2-amino-undecanoic acid
CID 232320
1-Aminocyclododecane-1-carboxylic acid
CID 24693319
2-Amino-2-methylheptanoic acid
CID 234094
2-Amino-2-methylnonanoic acid
CID 232322
2-Amino-2-methyloctanoic acid
CID 232321
(2S)-2-Amino-2-methyloctanoic acid
CID 11332749
(2R)-2-amino-2-methylnonanoic acid
CID 13956157
2-Amino-2-ethylheptanoic acid
CID 240185
(2S)-2-amino-2-methylundecanoic acid
CID 11390280
(R)-2-Amino-2-methylheptanoic acid
CID 13956154
2-Methyl-2-aminodecanoic acid
CID 13956159
alpha-Nonylalanine
CID 13956162

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(sulfanylmethyl)tetradecanoic acid?
The IUPAC name of 2-amino-2-(sulfanylmethyl)tetradecanoic acid (CID 22056924) is 2-amino-2-(sulfanylmethyl)tetradecanoic acid.
What is the SMILES notation for 2-amino-2-(sulfanylmethyl)tetradecanoic acid?
The canonical SMILES for 2-amino-2-(sulfanylmethyl)tetradecanoic acid is CCCCCCCCCCCCC(N)(CS)C(=O)O.
What is the InChIKey of 2-amino-2-(sulfanylmethyl)tetradecanoic acid?
The InChIKey is NKYABTFVCGYJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-15(16,13-19)14(17)18/h19H,2-13,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-2-(sulfanylmethyl)tetradecanoic acid?
2-amino-2-(sulfanylmethyl)tetradecanoic acid has a molecular weight of 289.49 g/mol, XLogP of 4.01, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(sulfanylmethyl)tetradecanoic acid is sourced from PubChem (CID 22056924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).