2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid

C13H22N2O3 — CID 64923426

IUPAC2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCC1CCC(NC(=O)N2CC(CC(=O)O)C2)C1C
InChIInChI=1S/C13H22N2O3/c1-8-3-4-11(9(8)2)14-13(18)15-6-10(7-15)5-12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPPRTYZHJXVCBPU-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.54
Rot. Bonds3

About 2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64923426) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64923426
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCC1CCC(NC(=O)N2CC(CC(=O)O)C2)C1C
InChIInChI=1S/C13H22N2O3/c1-8-3-4-11(9(8)2)14-13(18)15-6-10(7-15)5-12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPPRTYZHJXVCBPU-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64923426) is 2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid is CC1CCC(NC(=O)N2CC(CC(=O)O)C2)C1C.
What is the InChIKey of 2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is PPRTYZHJXVCBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-3-4-11(9(8)2)14-13(18)15-6-10(7-15)5-12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64923426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).