(2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid

C10H20N2O3S — CID 104864315

IUPAC(2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid
SMILESCC[C@@H](NC(=O)NC(C)CCSC)C(=O)O
InChIInChI=1S/C10H20N2O3S/c1-4-8(9(13)14)12-10(15)11-7(2)5-6-16-3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t7?,8-/m1/s1
InChIKeyQFWKDAWUECWUGJ-BRFYHDHCSA-N
MW248.35 g/mol
LogP1.29
Rot. Bonds7

About (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid

(2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid (PubChem CID 104864315) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid
PubChem CID104864315
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name(2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid
SMILESCC[C@@H](NC(=O)NC(C)CCSC)C(=O)O
InChIInChI=1S/C10H20N2O3S/c1-4-8(9(13)14)12-10(15)11-7(2)5-6-16-3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t7?,8-/m1/s1
InChIKeyQFWKDAWUECWUGJ-BRFYHDHCSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic 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-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104910637
2-(4-methylpentan-2-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61198592
(2S)-4-methylsulfanyl-2-(pentan-3-ylcarbamoylamino)butanoic acid
CID 61187767
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 61159666
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61479056
(2R)-2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910188
2-[[(1S)-1-carboxy-3-methylsulfanylpropyl]carbamoylamino]pentanedioic acid
CID 88542904
4-methylsulfanyl-2-(1-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 63010780
2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 54960068
(2R)-2-(6-methylsulfanylhexylcarbamoylamino)butanoic acid
CID 114126333
2-(3-ethylpentan-3-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 65042509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid (CID 104864315) is (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid is CC[C@@H](NC(=O)NC(C)CCSC)C(=O)O.
What is the InChIKey of (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is QFWKDAWUECWUGJ-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-4-8(9(13)14)12-10(15)11-7(2)5-6-16-3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid?
(2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 248.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 104864315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).