2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid

C14H18N2O4 — CID 79385111

IUPAC2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid
SMILESCC1NCCC1C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H18N2O4/c1-9-10(6-7-15-9)14(19)16-11-4-2-3-5-12(11)20-8-13(17)18/h2-5,9-10,15H,6-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyGUHHNZARGUNYBK-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.09
Rot. Bonds5

About 2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid

2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid (PubChem CID 79385111) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid
PubChem CID79385111
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid
SMILESCC1NCCC1C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H18N2O4/c1-9-10(6-7-15-9)14(19)16-11-4-2-3-5-12(11)20-8-13(17)18/h2-5,9-10,15H,6-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyGUHHNZARGUNYBK-UHFFFAOYSA-N
XLogP1.09
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388668
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 79388659
2-[[2-(2-methylprop-2-enoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17113215
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 79389185
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
CID 63746907
N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388230
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
(2S,4S)-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619560
N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383629

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid (CID 79385111) is 2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid is CC1NCCC1C(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is GUHHNZARGUNYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-10(6-7-15-9)14(19)16-11-4-2-3-5-12(11)20-8-13(17)18/h2-5,9-10,15H,6-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid?
2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 79385111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).