tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate

C21H30N4O4 — CID 121346719

IUPACtert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate
SMILESCc1cccn2c(C(C)(C)NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cnc12
InChIInChI=1S/C21H30N4O4/c1-14-8-7-9-25-16(12-22-17(14)25)21(5,6)23-18(26)15-13-24(10-11-28-15)19(27)29-20(2,3)4/h7-9,12,15H,10-11,13H2,1-6H3,(H,23,26)/t15-/m0/s1
InChIKeyKDBCKEHYXMUNHK-HNNXBMFYSA-N
MW402.50 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate

tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate (PubChem CID 121346719) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate
PubChem CID121346719
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Nametert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate
SMILESCc1cccn2c(C(C)(C)NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cnc12
InChIInChI=1S/C21H30N4O4/c1-14-8-7-9-25-16(12-22-17(14)25)21(5,6)23-18(26)15-13-24(10-11-28-15)19(27)29-20(2,3)4/h7-9,12,15H,10-11,13H2,1-6H3,(H,23,26)/t15-/m0/s1
InChIKeyKDBCKEHYXMUNHK-HNNXBMFYSA-N
XLogP2.63
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-1,4-oxazepane-4-carboxylate
CID 121346696
tert-butyl 6-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123686398
tert-butyl 6-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123975122
tert-butyl 6-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-1,4-oxazepane-4-carboxylate
CID 121346698
tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
CID 59494690
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate
CID 153400231
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate
CID 138710378
tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate
CID 118485004
tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate
CID 68598494

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate (CID 121346719) is tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate is Cc1cccn2c(C(C)(C)NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cnc12.
What is the InChIKey of tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate?
The InChIKey is KDBCKEHYXMUNHK-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-14-8-7-9-25-16(12-22-17(14)25)21(5,6)23-18(26)15-13-24(10-11-28-15)19(27)29-20(2,3)4/h7-9,12,15H,10-11,13H2,1-6H3,(H,23,26)/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate?
tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 121346719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).