(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid

C10H20N2O3S — CID 107565129

IUPAC(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)[C@H](N)CCSC)C(=O)O
InChIInChI=1S/C10H20N2O3S/c1-3-4-8(10(14)15)12-9(13)7(11)5-6-16-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1
InChIKeyGXOMRLQUSKFFHC-SFYZADRCSA-N
MW248.35 g/mol
LogP0.44
Rot. Bonds8

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

(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid (PubChem CID 107565129) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid
PubChem CID107565129
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)[C@H](N)CCSC)C(=O)O
InChIInChI=1S/C10H20N2O3S/c1-3-4-8(10(14)15)12-9(13)7(11)5-6-16-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1
InChIKeyGXOMRLQUSKFFHC-SFYZADRCSA-N
XLogP0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid with MolForge

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Related Compounds

(2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 107570768
(2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 107570769
(2S)-2-amino-4-methylsulfanylbutanoic acid;2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-methylsulfanylbutanoic acid
CID 88820578
(2R)-2-[[(2R)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 133109042
2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 61159666
(2S)-2-[[(2S)-2-amino-4-ethylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 153320606
(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107824859
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 145456990
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824186
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
6-amino-2-[[6-amino-2-[[6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 19998151
4-methylsulfanyl-2-(2-propylpentanoylamino)butanoic acid
CID 82984187

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid (CID 107565129) is (2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid is CCC[C@H](NC(=O)[C@H](N)CCSC)C(=O)O.
What is the InChIKey of (2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid?
The InChIKey is GXOMRLQUSKFFHC-SFYZADRCSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-4-8(10(14)15)12-9(13)7(11)5-6-16-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid?
(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid has a molecular weight of 248.35 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid is sourced from PubChem (CID 107565129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).