3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid

C15H20N2O4 — CID 107273646

IUPAC3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
SMILESCOC1CNC(C(=O)Nc2ccccc2CCC(=O)O)C1
InChIInChI=1S/C15H20N2O4/c1-21-11-8-13(16-9-11)15(20)17-12-5-3-2-4-10(12)6-7-14(18)19/h2-5,11,13,16H,6-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyXMYGBTSWOYPSAZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.02
Rot. Bonds6

About 3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid

3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid (PubChem CID 107273646) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
PubChem CID107273646
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
SMILESCOC1CNC(C(=O)Nc2ccccc2CCC(=O)O)C1
InChIInChI=1S/C15H20N2O4/c1-21-11-8-13(16-9-11)15(20)17-12-5-3-2-4-10(12)6-7-14(18)19/h2-5,11,13,16H,6-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyXMYGBTSWOYPSAZ-UHFFFAOYSA-N
XLogP1.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970
2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213078
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 61214477
4-methoxy-N-(2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61214182
N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213314
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213324
4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 79748999
N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214081
N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214618

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid (CID 107273646) is 3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid is COC1CNC(C(=O)Nc2ccccc2CCC(=O)O)C1.
What is the InChIKey of 3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is XMYGBTSWOYPSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-11-8-13(16-9-11)15(20)17-12-5-3-2-4-10(12)6-7-14(18)19/h2-5,11,13,16H,6-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid?
3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 107273646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).