2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid

C13H24N2O3S — CID 63958375

IUPAC2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCSCC(C)CNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C13H24N2O3S/c1-10(9-19-2)8-14-13(18)15-6-4-3-5-11(15)7-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyNWRXHKVQSGCQNX-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.02
Rot. Bonds6

About 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 63958375) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID63958375
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCSCC(C)CNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C13H24N2O3S/c1-10(9-19-2)8-14-13(18)15-6-4-3-5-11(15)7-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyNWRXHKVQSGCQNX-UHFFFAOYSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid (CID 63958375) is 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid is CSCC(C)CNC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is NWRXHKVQSGCQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10(9-19-2)8-14-13(18)15-6-4-3-5-11(15)7-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 288.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 63958375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).