2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid

C9H15NO2 — CID 83682736

IUPAC2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
SMILESO=C(O)CC1(N2CCCC2)CC1
InChIInChI=1S/C9H15NO2/c11-8(12)7-9(3-4-9)10-5-1-2-6-10/h1-7H2,(H,11,12)
InChIKeyCVLZNXUPOYWMBM-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.09
Rot. Bonds3

About 2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid

2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid (PubChem CID 83682736) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
PubChem CID83682736
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
SMILESO=C(O)CC1(N2CCCC2)CC1
InChIInChI=1S/C9H15NO2/c11-8(12)7-9(3-4-9)10-5-1-2-6-10/h1-7H2,(H,11,12)
InChIKeyCVLZNXUPOYWMBM-UHFFFAOYSA-N
XLogP1.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
2-(3-piperidin-1-ylthiolan-3-yl)acetic acid
CID 64527014
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 103961374
2-(1-piperazin-1-ylcyclohexyl)acetic acid
CID 115035729
2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65419694
2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid
CID 64527604
2-[3-(azepan-1-yl)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64527717
2-[4-(azepan-1-yl)-2,2-dimethyloxan-4-yl]acetic acid
CID 64526749

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid?
The IUPAC name of 2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid (CID 83682736) is 2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid?
The canonical SMILES for 2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid is O=C(O)CC1(N2CCCC2)CC1.
What is the InChIKey of 2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid?
The InChIKey is CVLZNXUPOYWMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8(12)7-9(3-4-9)10-5-1-2-6-10/h1-7H2,(H,11,12).
What are the key properties of 2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid?
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid has a molecular weight of 169.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid is sourced from PubChem (CID 83682736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).