2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid

C11H19NO2 — CID 79695810

IUPAC2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid
SMILESCC(C)C1CN(C(C(=O)O)C2CC2)C1
InChIInChI=1S/C11H19NO2/c1-7(2)9-5-12(6-9)10(11(13)14)8-3-4-8/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyHBTWSYJMNVZZCO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.44
Rot. Bonds4

About 2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid

2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid (PubChem CID 79695810) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid
PubChem CID79695810
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid
SMILESCC(C)C1CN(C(C(=O)O)C2CC2)C1
InChIInChI=1S/C11H19NO2/c1-7(2)9-5-12(6-9)10(11(13)14)8-3-4-8/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyHBTWSYJMNVZZCO-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid
CID 79695487
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687679
2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid
CID 65419887
2-cyclopropyl-2-(6-methyl-1,4-thiazepan-4-yl)acetic acid
CID 131114883
2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid
CID 79695044
2-cyclohexyl-2-(3-ethylazetidin-1-yl)acetic acid
CID 79694528
propan-2-ylcyclopropane;hydroiodide
CID 162314014
2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
CID 43803517
2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767
2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
CID 136558071
2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
CID 104575554
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid (CID 79695810) is 2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid is CC(C)C1CN(C(C(=O)O)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid?
The InChIKey is HBTWSYJMNVZZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)9-5-12(6-9)10(11(13)14)8-3-4-8/h7-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid?
2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid is sourced from PubChem (CID 79695810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).