2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate

C7H13N2O3S- — CID 102454632

IUPAC2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
SMILESCSCCC(N)C(=O)NCC(=O)[O-]
InChIInChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/p-1
InChIKeyQXOHLNCNYLGICT-UHFFFAOYSA-M
MW205.26 g/mol
LogP-2.07
Rot. Bonds6

About 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate

2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate (PubChem CID 102454632) has the molecular formula C7H13N2O3S- and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate.

Molecular Properties

Compound Name2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
PubChem CID102454632
Molecular FormulaC7H13N2O3S-
Molecular Weight205.26 g/mol
Exact Mass205.07
IUPAC Name2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
SMILESCSCCC(N)C(=O)NCC(=O)[O-]
InChIInChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/p-1
InChIKeyQXOHLNCNYLGICT-UHFFFAOYSA-M
XLogP-2.07
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
2-[[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]acetic acid
CID 7019095
ethyl 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 5095988
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2S)-2-amino-N-(cyanomethyl)-4-methylsulfanylbutanamide
CID 61252327
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
CID 172908207
CID 172908207
2-amino-4-methylsulfanylbutanoate;hydron
CID 135373086
disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
CID 142741182
tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)
CID 71661183
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate?
The IUPAC name of 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate (CID 102454632) is 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate.
What is the SMILES notation for 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate?
The canonical SMILES for 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate is CSCCC(N)C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate?
The InChIKey is QXOHLNCNYLGICT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/p-1.
What are the key properties of 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate?
2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate has a molecular weight of 205.26 g/mol, XLogP of -2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate is sourced from PubChem (CID 102454632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).