1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid

C14H17NO2 — CID 84794422

IUPAC1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(C3CCNC3)c2)CC1
InChIInChI=1S/C14H17NO2/c16-13(17)14(5-6-14)12-3-1-2-10(8-12)11-4-7-15-9-11/h1-3,8,11,15H,4-7,9H2,(H,16,17)
InChIKeyMJDOGEJVPOXQNI-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.88
Rot. Bonds3

About 1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid

1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 84794422) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
PubChem CID84794422
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(C3CCNC3)c2)CC1
InChIInChI=1S/C14H17NO2/c16-13(17)14(5-6-14)12-3-1-2-10(8-12)11-4-7-15-9-11/h1-3,8,11,15H,4-7,9H2,(H,16,17)
InChIKeyMJDOGEJVPOXQNI-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91623790
[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine
CID 84793975
1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436357
3-pyrrolidin-3-ylphenol
CID 12937992
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CID 117116652
ethane;3-phenylpyrrolidine
CID 91032726
1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid (CID 84794422) is 1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cccc(C3CCNC3)c2)CC1.
What is the InChIKey of 1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is MJDOGEJVPOXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13(17)14(5-6-14)12-3-1-2-10(8-12)11-4-7-15-9-11/h1-3,8,11,15H,4-7,9H2,(H,16,17).
What are the key properties of 1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid?
1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84794422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).