(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid

C20H21N3O4 — CID 119360221

IUPAC(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)C(=O)O
InChIInChI=1S/C20H21N3O4/c1-13(2)18(20(25)26)22-19(24)14-6-5-7-16(10-14)27-12-15-11-23-9-4-3-8-17(23)21-15/h3-11,13,18H,12H2,1-2H3,(H,22,24)(H,25,26)/t18-/m0/s1
InChIKeyWMPSLDFFNYWLFZ-SFHVURJKSA-N
MW367.41 g/mol
LogP2.75
Rot. Bonds7

About (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid

(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid (PubChem CID 119360221) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
PubChem CID119360221
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)C(=O)O
InChIInChI=1S/C20H21N3O4/c1-13(2)18(20(25)26)22-19(24)14-6-5-7-16(10-14)27-12-15-11-23-9-4-3-8-17(23)21-15/h3-11,13,18H,12H2,1-2H3,(H,22,24)(H,25,26)/t18-/m0/s1
InChIKeyWMPSLDFFNYWLFZ-SFHVURJKSA-N
XLogP2.75
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-4-methoxybutan-2-yl]benzamide
CID 52843285
(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid
CID 120615000
N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 51111213
N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 86894155
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
CID 43353990

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid (CID 119360221) is (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid is CC(C)[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid?
The InChIKey is WMPSLDFFNYWLFZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(2)18(20(25)26)22-19(24)14-6-5-7-16(10-14)27-12-15-11-23-9-4-3-8-17(23)21-15/h3-11,13,18H,12H2,1-2H3,(H,22,24)(H,25,26)/t18-/m0/s1.
What are the key properties of (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid?
(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid has a molecular weight of 367.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 119360221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).