(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid

C17H23N3O3S — CID 120615238

IUPAC(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CSCc1cn2cc(C)ccc2n1)C(=O)O
InChIInChI=1S/C17H23N3O3S/c1-3-4-5-14(17(22)23)19-16(21)11-24-10-13-9-20-8-12(2)6-7-15(20)18-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,19,21)(H,22,23)/t14-/m0/s1
InChIKeyMMSIGZCIWSWZHJ-AWEZNQCLSA-N
MW349.46 g/mol
LogP2.64
Rot. Bonds9

About (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid

(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid (PubChem CID 120615238) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid
PubChem CID120615238
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CSCc1cn2cc(C)ccc2n1)C(=O)O
InChIInChI=1S/C17H23N3O3S/c1-3-4-5-14(17(22)23)19-16(21)11-24-10-13-9-20-8-12(2)6-7-15(20)18-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,19,21)(H,22,23)/t14-/m0/s1
InChIKeyMMSIGZCIWSWZHJ-AWEZNQCLSA-N
XLogP2.64
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid with MolForge

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Related Compounds

N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86920911
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(2S)-2-[(2-benzylsulfanylacetyl)amino]hexanoic acid
CID 107143903
2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 43387082
2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid
CID 82032789
N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
CID 119587695
N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120827427
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide
CID 86920922
(2S)-2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 120614967
(2S)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 107144562
2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]pentanoic acid
CID 43631009
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47342909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid (CID 120615238) is (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid is CCCC[C@H](NC(=O)CSCc1cn2cc(C)ccc2n1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid?
The InChIKey is MMSIGZCIWSWZHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-4-5-14(17(22)23)19-16(21)11-24-10-13-9-20-8-12(2)6-7-15(20)18-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,19,21)(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid?
(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid has a molecular weight of 349.46 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid is sourced from PubChem (CID 120615238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).