(2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid

C11H22N2O3S — CID 103955202

IUPAC(2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid
SMILESCSCCN(C)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3S/c1-8(2)7-9(10(14)15)12-11(16)13(3)5-6-17-4/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKeyJPLHHUHPACDUOD-SECBINFHSA-N
MW262.38 g/mol
LogP1.49
Rot. Bonds7

About (2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid

(2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid (PubChem CID 103955202) has the molecular formula C11H22N2O3S and a molecular weight of 262.38 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid
PubChem CID103955202
Molecular FormulaC11H22N2O3S
Molecular Weight262.38 g/mol
Exact Mass262.14
IUPAC Name(2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid
SMILESCSCCN(C)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3S/c1-8(2)7-9(10(14)15)12-11(16)13(3)5-6-17-4/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKeyJPLHHUHPACDUOD-SECBINFHSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2S)-2-[[3-hydroxybutyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104869341
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43183366
(2R)-3,3-dimethyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]butanoic acid
CID 103955197
(2S)-4-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 103955219
(2R)-2-[[ethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104906564
2-[[2-cyanopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54990579
5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
CID 112662505
(2S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 55002285
(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976178
(2S)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 104553217

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid (CID 103955202) is (2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid is CSCCN(C)C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is JPLHHUHPACDUOD-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8(2)7-9(10(14)15)12-11(16)13(3)5-6-17-4/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 262.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 103955202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).