2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C14H23N3O4 — CID 79610849

IUPAC2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCNC(=O)CN(C)C(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C14H23N3O4/c1-15-12(18)8-16(2)14(21)17-10-3-4-11(17)6-9(5-10)7-13(19)20/h9-11H,3-8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyZGEPELSXDUDSBE-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.50
Rot. Bonds4

About 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79610849) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79610849
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCNC(=O)CN(C)C(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C14H23N3O4/c1-15-12(18)8-16(2)14(21)17-10-3-4-11(17)6-9(5-10)7-13(19)20/h9-11H,3-8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyZGEPELSXDUDSBE-UHFFFAOYSA-N
XLogP0.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609426
2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 113485738
2-(8-propan-2-yloxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79608218
2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 82730726
2-[8-[2-(carbamoylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615220
2-[(1S,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 98126153
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
2-[8-(tert-butylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608579
2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608122
2-[8-[3-(dimethylamino)propylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610606
2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609673
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160

Frequently Asked Questions

What is the IUPAC name of 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79610849) is 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CNC(=O)CN(C)C(=O)N1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is ZGEPELSXDUDSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-15-12(18)8-16(2)14(21)17-10-3-4-11(17)6-9(5-10)7-13(19)20/h9-11H,3-8H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 297.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79610849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).