[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate

C12H24N2O4S — CID 90745956

IUPAC[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OSOC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H24N2O4S/c1-7(2)5-9(13)11(15)17-19-18-12(16)10(14)6-8(3)4/h7-10H,5-6,13-14H2,1-4H3/t9-,10-/m0/s1
InChIKeyKTGGGJXIKXJAHJ-UWVGGRQHSA-N
MW292.40 g/mol
LogP1.38
Rot. Bonds8

About [(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate

[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate (PubChem CID 90745956) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is [(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
PubChem CID90745956
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OSOC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H24N2O4S/c1-7(2)5-9(13)11(15)17-19-18-12(16)10(14)6-8(3)4/h7-10H,5-6,13-14H2,1-4H3/t9-,10-/m0/s1
InChIKeyKTGGGJXIKXJAHJ-UWVGGRQHSA-N
XLogP1.38
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 164753988
CID 164753988
4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406
ethenyl (2S)-2-amino-4-methylpentanoate
CID 57471579
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
CID 159439420
2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate
CID 175101609
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
methyl 2-amino-4-methylpentanoate;phosphoric acid
CID 175229624
(2S)-2-amino-4-methylpentanoyl iodide
CID 126568368
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
2-amino-4-methylpentanoic acid;chromium
CID 88640601

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate?
The IUPAC name of [(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate (CID 90745956) is [(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for [(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for [(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)OSOC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of [(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate?
The InChIKey is KTGGGJXIKXJAHJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-7(2)5-9(13)11(15)17-19-18-12(16)10(14)6-8(3)4/h7-10H,5-6,13-14H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of [(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate?
[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate has a molecular weight of 292.40 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 90745956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).