(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid

C11H24N2O5S — CID 90017502

IUPAC(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid
SMILESCCCC[C@H](N)C(=O)O.CS(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2.C5H11NO3S/c1-2-3-4-5(7)6(8)9;1-10(9)3-2-4(6)5(7)8/h5H,2-4,7H2,1H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-,10?/m00/s1
InChIKeyXCPARMZABSOSIT-AXRPPBDMSA-N
MW296.39 g/mol
LogP-0.24
Rot. Bonds8

About (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid

(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid (PubChem CID 90017502) has the molecular formula C11H24N2O5S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid
PubChem CID90017502
Molecular FormulaC11H24N2O5S
Molecular Weight296.39 g/mol
Exact Mass296.14
IUPAC Name(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid
SMILESCCCC[C@H](N)C(=O)O.CS(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2.C5H11NO3S/c1-2-3-4-5(7)6(8)9;1-10(9)3-2-4(6)5(7)8/h5H,2-4,7H2,1H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-,10?/m00/s1
InChIKeyXCPARMZABSOSIT-AXRPPBDMSA-N
XLogP-0.24
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic 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-aminohexanoic acid;dihydrochloride
CID 142770522
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2R)-2-amino-4-[(R)-butylsulfinyl]butanoic acid
CID 14071075
(2R)-2-amino-4-butylsulfinylbutanoic acid
CID 46780925
(2S)-2-amino-4-methylsulfinylbutanoic acid;butanoic acid;hydroxysulfanylmethane
CID 88801630
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695
2-aminohexadecanoic acid;azane
CID 175267671
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid?
The IUPAC name of (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid (CID 90017502) is (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid.
What is the SMILES notation for (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid?
The canonical SMILES for (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid is CCCC[C@H](N)C(=O)O.CS(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid?
The InChIKey is XCPARMZABSOSIT-AXRPPBDMSA-N. The full InChI is InChI=1S/C6H13NO2.C5H11NO3S/c1-2-3-4-5(7)6(8)9;1-10(9)3-2-4(6)5(7)8/h5H,2-4,7H2,1H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-,10?/m00/s1.
What are the key properties of (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid?
(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid has a molecular weight of 296.39 g/mol, XLogP of -0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid is sourced from PubChem (CID 90017502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).