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

C15H20N2O3 — CID 115339958

IUPAC3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
SMILESCC1NCCC1C(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-13(8-9-16-10)15(20)17-12-5-2-11(3-6-12)4-7-14(18)19/h2-3,5-6,10,13,16H,4,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyDNFYSPHTYGMLER-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds5

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

3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 115339958) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID115339958
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
SMILESCC1NCCC1C(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-13(8-9-16-10)15(20)17-12-5-2-11(3-6-12)4-7-14(18)19/h2-3,5-6,10,13,16H,4,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyDNFYSPHTYGMLER-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 79378348
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303
2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide
CID 79389152
2-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79389311
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid (CID 115339958) is 3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid is CC1NCCC1C(=O)Nc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is DNFYSPHTYGMLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-13(8-9-16-10)15(20)17-12-5-2-11(3-6-12)4-7-14(18)19/h2-3,5-6,10,13,16H,4,7-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid?
3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115339958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).