2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid

C15H16ClNO3 — CID 60950016

IUPAC2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO3/c16-10-4-1-3-9(7-10)13-5-2-6-17(13)14(18)11-8-12(11)15(19)20/h1,3-4,7,11-13H,2,5-6,8H2,(H,19,20)
InChIKeyYEXZCEHEXZVYEM-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.72
Rot. Bonds3

About 2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid

2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 60950016) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID60950016
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO3/c16-10-4-1-3-9(7-10)13-5-2-6-17(13)14(18)11-8-12(11)15(19)20/h1,3-4,7,11-13H,2,5-6,8H2,(H,19,20)
InChIKeyYEXZCEHEXZVYEM-UHFFFAOYSA-N
XLogP2.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
cis-(1R,2S)-2-[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125151627
[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanone
CID 160684070
2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 97161070
(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 66463523
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
[1-(aminomethyl)cyclopropyl]-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 115452869
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-pyrimidin-5-ylethanone
CID 166212254
trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 99851614
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
3-amino-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 60947054

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 60950016) is 2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)N1CCCC1c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is YEXZCEHEXZVYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-10-4-1-3-9(7-10)13-5-2-6-17(13)14(18)11-8-12(11)15(19)20/h1,3-4,7,11-13H,2,5-6,8H2,(H,19,20).
What are the key properties of 2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60950016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).