2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid

C7H14N2O3S — CID 6992930

IUPAC2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid
SMILESCSCC[C@H](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)/t5-/m0/s1
InChIKeyQXOHLNCNYLGICT-YFKPBYRVSA-N
MW206.27 g/mol
LogP-0.73
Rot. Bonds6

About 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid

2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid (PubChem CID 6992930) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid
PubChem CID6992930
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid
SMILESCSCC[C@H](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)/t5-/m0/s1
InChIKeyQXOHLNCNYLGICT-YFKPBYRVSA-N
XLogP-0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid (CID 6992930) is 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid is CSCC[C@H](N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid?
The InChIKey is QXOHLNCNYLGICT-YFKPBYRVSA-N. 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)/t5-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid?
2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid has a molecular weight of 206.27 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid is sourced from PubChem (CID 6992930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).