2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid

C10H20N2O4S — CID 103155376

IUPAC2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid
SMILESCOC(CN)CC(=O)NC(CCSC)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-16-7(6-11)5-9(13)12-8(10(14)15)3-4-17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHSDFGNPARFADEO-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.33
Rot. Bonds9

About 2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid

2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid (PubChem CID 103155376) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid
PubChem CID103155376
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid
SMILESCOC(CN)CC(=O)NC(CCSC)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-16-7(6-11)5-9(13)12-8(10(14)15)3-4-17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHSDFGNPARFADEO-UHFFFAOYSA-N
XLogP-0.33
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid
CID 103155410
(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155444
2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386
(2R)-2-[3-(aminomethyl)pentanoylamino]-4-methylsulfanylbutanoic acid
CID 104909167
(2S)-2-[(2-hydroxyacetyl)amino]-4-methylsulfanylbutanoic acid
CID 162512834
(2R)-2-[[6-[[(1R)-1-carboxy-3-methylsulfanylpropyl]amino]-6-oxohexanoyl]amino]-4-methylsulfanylbutanoic acid
CID 40571539
(2S)-2-[(2-bromoacetyl)amino]-4-methylsulfanylbutanoic acid
CID 131851039
(2S)-2-(methoxyamino)-4-methylsulfanylbutanoic acid
CID 154085553
2-(19-aminononadecanoylamino)-4-methylsulfanylbutanoic acid
CID 130455614
(2R)-2-(4-methoxybutanoylamino)-4-methylsulfanylbutanoic acid
CID 104906195
(2S)-4-methylsulfanyl-2-(3-propoxypropanoylamino)butanoic acid
CID 62715100
(2S)-2-[(3-amino-3-methylbutanoyl)amino]-4-methylsulfanylbutanoic acid
CID 64677575

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid (CID 103155376) is 2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid is COC(CN)CC(=O)NC(CCSC)C(=O)O.
What is the InChIKey of 2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid?
The InChIKey is HSDFGNPARFADEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-16-7(6-11)5-9(13)12-8(10(14)15)3-4-17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid?
2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 103155376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).