(2S)-2-amino-4-methylsulfanylbutanamide;cobalt

C5H12CoN2OS — CID 174423954

IUPAC(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
SMILESCSCC[C@H](N)C(N)=O.[Co]
InChIInChI=1S/C5H12N2OS.Co/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H2,7,8);/t4-;/m0./s1
InChIKeyWCEVMINOBSAEBU-WCCKRBBISA-N
MW207.16 g/mol
LogP-0.45
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanylbutanamide;cobalt

(2S)-2-amino-4-methylsulfanylbutanamide;cobalt (PubChem CID 174423954) has the molecular formula C5H12CoN2OS and a molecular weight of 207.16 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanamide;cobalt.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
PubChem CID174423954
Molecular FormulaC5H12CoN2OS
Molecular Weight207.16 g/mol
Exact Mass207.00
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
SMILESCSCC[C@H](N)C(N)=O.[Co]
InChIInChI=1S/C5H12N2OS.Co/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H2,7,8);/t4-;/m0./s1
InChIKeyWCEVMINOBSAEBU-WCCKRBBISA-N
XLogP-0.45
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;guanidine
CID 157213909
CID 173007920
CID 173007920
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 172908207
CID 172908207
2-amino-4-methylsulfanylbutanoate;hydron
CID 135373086
disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
CID 142741182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanamide;cobalt?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanamide;cobalt (CID 174423954) is (2S)-2-amino-4-methylsulfanylbutanamide;cobalt.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanamide;cobalt?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanamide;cobalt is CSCC[C@H](N)C(N)=O.[Co].
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanamide;cobalt?
The InChIKey is WCEVMINOBSAEBU-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12N2OS.Co/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H2,7,8);/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanamide;cobalt?
(2S)-2-amino-4-methylsulfanylbutanamide;cobalt has a molecular weight of 207.16 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanamide;cobalt is sourced from PubChem (CID 174423954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).