5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid

C16H21NO3 — CID 117117011

IUPAC5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid
SMILESCOCC1(c2ccccc2C2CC(C(=O)O)CN2)CC1
InChIInChI=1S/C16H21NO3/c1-20-10-16(6-7-16)13-5-3-2-4-12(13)14-8-11(9-17-14)15(18)19/h2-5,11,14,17H,6-10H2,1H3,(H,18,19)
InChIKeySZKLSCRWVBPCSO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.10
Rot. Bonds5

About 5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid

5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117117011) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid
PubChem CID117117011
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid
SMILESCOCC1(c2ccccc2C2CC(C(=O)O)CN2)CC1
InChIInChI=1S/C16H21NO3/c1-20-10-16(6-7-16)13-5-3-2-4-12(13)14-8-11(9-17-14)15(18)19/h2-5,11,14,17H,6-10H2,1H3,(H,18,19)
InChIKeySZKLSCRWVBPCSO-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117467672
5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
CID 117442644
5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117407354
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
CID 117114147
5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117405342
5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117416959
5-(2-hydroxy-4,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421330
5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 117364996
5-(2,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117451340
5-(3-hydroxy-2-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117386436
5-(2,2-dimethyl-1,3-benzoxathiol-7-yl)pyrrolidine-3-carboxylic acid
CID 117448068
5-(4-fluoro-2-hydroxy-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117390681

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid (CID 117117011) is 5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid is COCC1(c2ccccc2C2CC(C(=O)O)CN2)CC1.
What is the InChIKey of 5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SZKLSCRWVBPCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-10-16(6-7-16)13-5-3-2-4-12(13)14-8-11(9-17-14)15(18)19/h2-5,11,14,17H,6-10H2,1H3,(H,18,19).
What are the key properties of 5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid?
5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117117011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).