(2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid

C10H20N2O3S — CID 107570769

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

About (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid

(2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid (PubChem CID 107570769) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid
PubChem CID107570769
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name(2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid
SMILESCCC[C@@H](N)C(=O)N[C@H](CCSC)C(=O)O
InChIInChI=1S/C10H20N2O3S/c1-3-4-7(11)9(13)12-8(10(14)15)5-6-16-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m1/s1
InChIKeyLNXIXIWBXZNOBK-HTQZYQBOSA-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 (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 107570768
(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pentanoic acid
CID 107565129
(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
(2S)-2-[[(2S)-2-amino-4-ethylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 153320606
2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 61159666
(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107824859
4-methylsulfanyl-2-(2-propylpentanoylamino)butanoic acid
CID 82984187
3-amino-4-[[1-[[1-[(1-carboxy-3-methylsulfanylpropyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246519
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 145456990
3-amino-4-[[1-[(1-carboxy-3-methylsulfanylpropyl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18219658
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid (CID 107570769) is (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid is CCC[C@@H](N)C(=O)N[C@H](CCSC)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid?
The InChIKey is LNXIXIWBXZNOBK-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-4-7(11)9(13)12-8(10(14)15)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 (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid?
(2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic 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 (2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 107570769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).