2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid

C14H24N2O3S — CID 64701698

IUPAC2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
SMILESCC1CN(C(=O)NC2(CC(=O)O)CCCC2)CC(C)S1
InChIInChI=1S/C14H24N2O3S/c1-10-8-16(9-11(2)20-10)13(19)15-14(7-12(17)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJZBZHVVPJJCQKW-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.31
Rot. Bonds3

About 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid

2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 64701698) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID64701698
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
SMILESCC1CN(C(=O)NC2(CC(=O)O)CCCC2)CC(C)S1
InChIInChI=1S/C14H24N2O3S/c1-10-8-16(9-11(2)20-10)13(19)15-14(7-12(17)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJZBZHVVPJJCQKW-UHFFFAOYSA-N
XLogP2.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid (CID 64701698) is 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid is CC1CN(C(=O)NC2(CC(=O)O)CCCC2)CC(C)S1.
What is the InChIKey of 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is JZBZHVVPJJCQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-10-8-16(9-11(2)20-10)13(19)15-14(7-12(17)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 300.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64701698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).