(2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid

C15H29NO2S — CID 143996574

IUPAC(2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid
SMILESCCC/C(C)=C/CCC(C)CCSC[C@H](N)C(=O)O
InChIInChI=1S/C15H29NO2S/c1-4-6-12(2)7-5-8-13(3)9-10-19-11-14(16)15(17)18/h7,13-14H,4-6,8-11,16H2,1-3H3,(H,17,18)/b12-7+/t13?,14-/m0/s1
InChIKeyFOROSYYSHVRCAB-WEWUPFQBSA-N
MW287.47 g/mol
LogP3.68
Rot. Bonds11

About (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid

(2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid (PubChem CID 143996574) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid
PubChem CID143996574
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name(2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid
SMILESCCC/C(C)=C/CCC(C)CCSC[C@H](N)C(=O)O
InChIInChI=1S/C15H29NO2S/c1-4-6-12(2)7-5-8-13(3)9-10-19-11-14(16)15(17)18/h7,13-14H,4-6,8-11,16H2,1-3H3,(H,17,18)/b12-7+/t13?,14-/m0/s1
InChIKeyFOROSYYSHVRCAB-WEWUPFQBSA-N
XLogP3.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic 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

(2S)-2-amino-3-(2-methylpentylsulfanyl)propanoic acid
CID 107773647
(E)-2,6-dimethylnon-5-enoate
CID 59229388
(2S)-2-amino-3-dodecylsulfanylpropanoic acid
CID 98447258
(2R)-2-amino-3-(3,3-diethoxypropylsulfanyl)propanoic acid
CID 54372830
(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
CID 18664344
(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
CID 107772991
(E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid
CID 6476240
(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid
CID 6476237
2-amino-3-[(2S)-2-amino-3-oxobutyl]sulfanylpropanoic acid
CID 59034309
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
CID 21345005
(2S)-2-amino-3-(2-propoxyethylsulfanyl)propanoic acid
CID 107773252
2-[[(3S)-3-amino-3-carboxypropyl]sulfanylmethyl]propanedioic acid
CID 87535505

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid (CID 143996574) is (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid is CCC/C(C)=C/CCC(C)CCSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid?
The InChIKey is FOROSYYSHVRCAB-WEWUPFQBSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-4-6-12(2)7-5-8-13(3)9-10-19-11-14(16)15(17)18/h7,13-14H,4-6,8-11,16H2,1-3H3,(H,17,18)/b12-7+/t13?,14-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid has a molecular weight of 287.47 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid is sourced from PubChem (CID 143996574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).