2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid

C20H25N3O3 — CID 125003897

IUPAC2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
SMILESCNc1cc(C)nc([C@@H]2CCN(Cc3ccccc3OCC(=O)O)C2)c1
InChIInChI=1S/C20H25N3O3/c1-14-9-17(21-2)10-18(22-14)15-7-8-23(11-15)12-16-5-3-4-6-19(16)26-13-20(24)25/h3-6,9-10,15H,7-8,11-13H2,1-2H3,(H,21,22)(H,24,25)/t15-/m1/s1
InChIKeySUQDORUBBUKERJ-OAHLLOKOSA-N
MW355.44 g/mol
LogP2.88
Rot. Bonds7

About 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid

2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 125003897) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID125003897
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
SMILESCNc1cc(C)nc([C@@H]2CCN(Cc3ccccc3OCC(=O)O)C2)c1
InChIInChI=1S/C20H25N3O3/c1-14-9-17(21-2)10-18(22-14)15-7-8-23(11-15)12-16-5-3-4-6-19(16)26-13-20(24)25/h3-6,9-10,15H,7-8,11-13H2,1-2H3,(H,21,22)(H,24,25)/t15-/m1/s1
InChIKeySUQDORUBBUKERJ-OAHLLOKOSA-N
XLogP2.88
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110105906
2-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77088349
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
2-[2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77089620
N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020310
N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 124958456
N,2-dimethyl-6-[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020309
2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 137052957
2-[2-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenoxy]acetic acid
CID 56718402
2-[2-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99930028
2-[(3S)-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]-N-(4-methoxyphenyl)-6-methylpyridin-4-amine
CID 125011716

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid (CID 125003897) is 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid is CNc1cc(C)nc([C@@H]2CCN(Cc3ccccc3OCC(=O)O)C2)c1.
What is the InChIKey of 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is SUQDORUBBUKERJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-9-17(21-2)10-18(22-14)15-7-8-23(11-15)12-16-5-3-4-6-19(16)26-13-20(24)25/h3-6,9-10,15H,7-8,11-13H2,1-2H3,(H,21,22)(H,24,25)/t15-/m1/s1.
What are the key properties of 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 355.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 125003897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).