2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid

C10H20N2O3S — CID 63959874

IUPAC2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid
SMILESCSCC(C)CNC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C10H20N2O3S/c1-7(6-16-4)5-11-10(15)12(3)8(2)9(13)14/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyKGBZSWDLICADPJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.10
Rot. Bonds6

About 2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid

2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid (PubChem CID 63959874) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid
PubChem CID63959874
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid
SMILESCSCC(C)CNC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C10H20N2O3S/c1-7(6-16-4)5-11-10(15)12(3)8(2)9(13)14/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyKGBZSWDLICADPJ-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 112662992
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 63957312
2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618116
(2S)-2-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 107840060
2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid
CID 62637183
3-methyl-4-[[methyl(propan-2-yl)carbamoyl]amino]butanoic acid
CID 81072394
2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 112662783
2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid
CID 63227857
propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
CID 116656155
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid
CID 63966934
N-(2-methyl-3-methylsulfanylpropyl)-3-oxobutanamide
CID 63960200
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
CID 62637361

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid (CID 63959874) is 2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid is CSCC(C)CNC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid?
The InChIKey is KGBZSWDLICADPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-7(6-16-4)5-11-10(15)12(3)8(2)9(13)14/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14).
What are the key properties of 2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid?
2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid has a molecular weight of 248.35 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 63959874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).