2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid

C14H24N2O3 — CID 64616083

IUPAC2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCC1(C)CCC(NC(=O)N2CC(CC(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(2)5-3-11(4-6-14)15-13(19)16-8-10(9-16)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUCPKQRGNDAIVKH-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds3

About 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64616083) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64616083
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCC1(C)CCC(NC(=O)N2CC(CC(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(2)5-3-11(4-6-14)15-13(19)16-8-10(9-16)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUCPKQRGNDAIVKH-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64616083) is 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid is CC1(C)CCC(NC(=O)N2CC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is UCPKQRGNDAIVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2)5-3-11(4-6-14)15-13(19)16-8-10(9-16)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).