4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid

C14H26N2O3 — CID 175618068

IUPAC4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid
SMILESCCCC1(NC(=O)C(CC(=O)O)C(C)(C)C)CNC1
InChIInChI=1S/C14H26N2O3/c1-5-6-14(8-15-9-14)16-12(19)10(7-11(17)18)13(2,3)4/h10,15H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyUDDUKRKUOLYHJW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.38
Rot. Bonds6

About 4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid

4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid (PubChem CID 175618068) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid
PubChem CID175618068
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid
SMILESCCCC1(NC(=O)C(CC(=O)O)C(C)(C)C)CNC1
InChIInChI=1S/C14H26N2O3/c1-5-6-14(8-15-9-14)16-12(19)10(7-11(17)18)13(2,3)4/h10,15H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyUDDUKRKUOLYHJW-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid (CID 175618068) is 4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid is CCCC1(NC(=O)C(CC(=O)O)C(C)(C)C)CNC1.
What is the InChIKey of 4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid?
The InChIKey is UDDUKRKUOLYHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-6-14(8-15-9-14)16-12(19)10(7-11(17)18)13(2,3)4/h10,15H,5-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid?
4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid is sourced from PubChem (CID 175618068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).