2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid

C21H24N2O4 — CID 90854379

IUPAC2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
SMILESCC1(CC(=O)O)CC1c1ccc(OCCc2cccc(NCC=O)n2)cc1
InChIInChI=1S/C21H24N2O4/c1-21(14-20(25)26)13-18(21)15-5-7-17(8-6-15)27-12-9-16-3-2-4-19(23-16)22-10-11-24/h2-8,11,18H,9-10,12-14H2,1H3,(H,22,23)(H,25,26)
InChIKeyYNZZLGAHFGWMDA-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.28
Rot. Bonds10

About 2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid

2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 90854379) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
PubChem CID90854379
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
SMILESCC1(CC(=O)O)CC1c1ccc(OCCc2cccc(NCC=O)n2)cc1
InChIInChI=1S/C21H24N2O4/c1-21(14-20(25)26)13-18(21)15-5-7-17(8-6-15)27-12-9-16-3-2-4-19(23-16)22-10-11-24/h2-8,11,18H,9-10,12-14H2,1H3,(H,22,23)(H,25,26)
InChIKeyYNZZLGAHFGWMDA-UHFFFAOYSA-N
XLogP3.28
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
CID 91367323
4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
CID 142102612
methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate
CID 54281184
2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 10274234
2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 22347519
N-methyl-6-[2-[4-(2-methylbut-1-enyl)phenoxy]ethyl]pyridin-2-amine
CID 141013947
methyl 3,3-dimethyl-4-[4-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]ethoxy]phenyl]butanoate
CID 12018747
acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid
CID 70106532
3-(2-ethylphenyl)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]butanoic acid
CID 70115234
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-[6-(2-methoxyethylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 59665311
(3R)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-3-(1,3-thiazol-2-yl)butanoic acid
CID 54368391
ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate
CID 141013948

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid (CID 90854379) is 2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid is CC1(CC(=O)O)CC1c1ccc(OCCc2cccc(NCC=O)n2)cc1.
What is the InChIKey of 2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
The InChIKey is YNZZLGAHFGWMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(14-20(25)26)13-18(21)15-5-7-17(8-6-15)27-12-9-16-3-2-4-19(23-16)22-10-11-24/h2-8,11,18H,9-10,12-14H2,1H3,(H,22,23)(H,25,26).
What are the key properties of 2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 368.43 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 90854379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).