2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid

C10H18N2O4S — CID 42901131

IUPAC2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
SMILESCC(C)CNC(=O)NC(=O)CSC(C)C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-6(2)4-11-10(16)12-8(13)5-17-7(3)9(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyQZFYJOQTIMWGSQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.67
Rot. Bonds6

About 2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid

2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 42901131) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
PubChem CID42901131
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
SMILESCC(C)CNC(=O)NC(=O)CSC(C)C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-6(2)4-11-10(16)12-8(13)5-17-7(3)9(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyQZFYJOQTIMWGSQ-UHFFFAOYSA-N
XLogP0.67
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of 2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid (CID 42901131) is 2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid is CC(C)CNC(=O)NC(=O)CSC(C)C(=O)O.
What is the InChIKey of 2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is QZFYJOQTIMWGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-6(2)4-11-10(16)12-8(13)5-17-7(3)9(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 262.33 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 42901131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).