3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

C16H23N3O4 — CID 153293081

IUPAC3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCc1c(C(N)=O)c2n(c1C(=O)C(=O)NC(C)(C)CO)CCCC2
InChIInChI=1S/C16H23N3O4/c1-9-11(14(17)22)10-6-4-5-7-19(10)12(9)13(21)15(23)18-16(2,3)8-20/h20H,4-8H2,1-3H3,(H2,17,22)(H,18,23)
InChIKeyBXVAQJXUPZZGOC-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.30
Rot. Bonds5

About 3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 153293081) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID153293081
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCc1c(C(N)=O)c2n(c1C(=O)C(=O)NC(C)(C)CO)CCCC2
InChIInChI=1S/C16H23N3O4/c1-9-11(14(17)22)10-6-4-5-7-19(10)12(9)13(21)15(23)18-16(2,3)8-20/h20H,4-8H2,1-3H3,(H2,17,22)(H,18,23)
InChIKeyBXVAQJXUPZZGOC-UHFFFAOYSA-N
XLogP0.30
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134599126
N-(3-fluoro-4-methylphenyl)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134599081
N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 157367819
2-methyl-3-(2-oxopropanoyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid
CID 155038523
N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146449751
N-(3,4-difluorophenyl)-3-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146476446
3-[2-(tert-butylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxylic acid
CID 146450241
ethyl 2-methyl-3-[2-oxo-2-(1,1,1-trifluoropropan-2-ylideneamino)acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 175887350
5-[[2-[2-chloro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]-5-methylhexanoic acid
CID 164992000
N-(2-chloro-4-pyridinyl)-5-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
CID 146450252
1-ethyl-N-(4-fluoro-3-methylphenyl)-5-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide
CID 146450530
3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
CID 139507448

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of 3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 153293081) is 3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for 3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for 3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide is Cc1c(C(N)=O)c2n(c1C(=O)C(=O)NC(C)(C)CO)CCCC2.
What is the InChIKey of 3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is BXVAQJXUPZZGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-9-11(14(17)22)10-6-4-5-7-19(10)12(9)13(21)15(23)18-16(2,3)8-20/h20H,4-8H2,1-3H3,(H2,17,22)(H,18,23).
What are the key properties of 3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?
3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 153293081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).