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

C10H20N2O3S — CID 63957952

IUPAC3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid
SMILESCSCC(C)CNC(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H20N2O3S/c1-8(7-16-3)6-11-10(15)12(2)5-4-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyMUMSYDNYINFFJD-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.10
Rot. Bonds7

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

3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid (PubChem CID 63957952) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid
PubChem CID63957952
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid
SMILESCSCC(C)CNC(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H20N2O3S/c1-8(7-16-3)6-11-10(15)12(2)5-4-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyMUMSYDNYINFFJD-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid (CID 63957952) is 3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid is CSCC(C)CNC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid?
The InChIKey is MUMSYDNYINFFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(7-16-3)6-11-10(15)12(2)5-4-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid?
3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid has a molecular weight of 248.35 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 63957952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).