1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

C19H21NO3 — CID 122036642

IUPAC1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cc(-c2ccccc2)ccc1CN1CCCC1C(=O)O
InChIInChI=1S/C19H21NO3/c1-23-18-12-15(14-6-3-2-4-7-14)9-10-16(18)13-20-11-5-8-17(20)19(21)22/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3,(H,21,22)
InChIKeyPQCPMQDPYNFKFO-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.41
Rot. Bonds5

About 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 122036642) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID122036642
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cc(-c2ccccc2)ccc1CN1CCCC1C(=O)O
InChIInChI=1S/C19H21NO3/c1-23-18-12-15(14-6-3-2-4-7-14)9-10-16(18)13-20-11-5-8-17(20)19(21)22/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3,(H,21,22)
InChIKeyPQCPMQDPYNFKFO-UHFFFAOYSA-N
XLogP3.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036450
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372
(2S)-1-[[2-methoxy-4-(2-methyl-3-phenylbenzoyl)oxyphenyl]methyl]piperidine-2-carboxylic acid
CID 177373868
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909419
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909083
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 4612609
1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
CID 55257955
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid (CID 122036642) is 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid is COc1cc(-c2ccccc2)ccc1CN1CCCC1C(=O)O.
What is the InChIKey of 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PQCPMQDPYNFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-18-12-15(14-6-3-2-4-7-14)9-10-16(18)13-20-11-5-8-17(20)19(21)22/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3,(H,21,22).
What are the key properties of 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122036642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).