2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

C10H17NO3S — CID 63983599

IUPAC2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCSCC(C)CNC(=O)C1CC1C(=O)O
InChIInChI=1S/C10H17NO3S/c1-6(5-15-2)4-11-9(12)7-3-8(7)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDQVJTZWROQJJLA-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.82
Rot. Bonds6

About 2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 63983599) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID63983599
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCSCC(C)CNC(=O)C1CC1C(=O)O
InChIInChI=1S/C10H17NO3S/c1-6(5-15-2)4-11-9(12)7-3-8(7)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDQVJTZWROQJJLA-UHFFFAOYSA-N
XLogP0.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 63983599) is 2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is CSCC(C)CNC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is DQVJTZWROQJJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-6(5-15-2)4-11-9(12)7-3-8(7)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 231.32 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 63983599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).