1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

C15H20N2O4 — CID 66196818

IUPAC1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C(C)NC(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O4/c1-10(11-3-5-13(21-2)6-4-11)16-15(20)17-8-7-12(9-17)14(18)19/h3-6,10,12H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHSOVXKREVUDGMC-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.87
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 66196818) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID66196818
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C(C)NC(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O4/c1-10(11-3-5-13(21-2)6-4-11)16-15(20)17-8-7-12(9-17)14(18)19/h3-6,10,12H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHSOVXKREVUDGMC-UHFFFAOYSA-N
XLogP1.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011943
1-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000526
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015948
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
1-[[(1S)-1-(3-phenylmethoxyphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011906
1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122014818
1-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122002189
1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122017027
1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 114159335

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 66196818) is 1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is COc1ccc(C(C)NC(=O)N2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HSOVXKREVUDGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(11-3-5-13(21-2)6-4-11)16-15(20)17-8-7-12(9-17)14(18)19/h3-6,10,12H,7-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66196818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).