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

C21H23N3O4 — CID 120615000

IUPAC(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)C(=O)O
InChIInChI=1S/C21H23N3O4/c1-2-3-9-18(21(26)27)23-20(25)15-7-6-8-17(12-15)28-14-16-13-24-11-5-4-10-19(24)22-16/h4-8,10-13,18H,2-3,9,14H2,1H3,(H,23,25)(H,26,27)/t18-/m0/s1
InChIKeyNHKUXTJRSRXOHR-SFHVURJKSA-N
MW381.43 g/mol
LogP3.29
Rot. Bonds9

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

(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid (PubChem CID 120615000) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid
PubChem CID120615000
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)C(=O)O
InChIInChI=1S/C21H23N3O4/c1-2-3-9-18(21(26)27)23-20(25)15-7-6-8-17(12-15)28-14-16-13-24-11-5-4-10-19(24)22-16/h4-8,10-13,18H,2-3,9,14H2,1H3,(H,23,25)(H,26,27)/t18-/m0/s1
InChIKeyNHKUXTJRSRXOHR-SFHVURJKSA-N
XLogP3.29
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 119360221
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-4-methoxybutan-2-yl]benzamide
CID 52843285
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 51111213
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
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]pentanoic acid
CID 43630447
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 30582719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid (CID 120615000) is (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid is CCCC[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]hexanoic acid?
The InChIKey is NHKUXTJRSRXOHR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-2-3-9-18(21(26)27)23-20(25)15-7-6-8-17(12-15)28-14-16-13-24-11-5-4-10-19(24)22-16/h4-8,10-13,18H,2-3,9,14H2,1H3,(H,23,25)(H,26,27)/t18-/m0/s1.
What are the key properties of (2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid?
(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid has a molecular weight of 381.43 g/mol, XLogP of 3.29, 9 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]hexanoic acid is sourced from PubChem (CID 120615000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).