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

C15H24N2O4 — CID 82730726

IUPAC2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCN(C(=O)N1C2CCC1CC(CC(=O)O)C2)C1CCOC1
InChIInChI=1S/C15H24N2O4/c1-16(13-4-5-21-9-13)15(20)17-11-2-3-12(17)7-10(6-11)8-14(18)19/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeySFFLVRXTCJSALK-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.54
Rot. Bonds3

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

2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 82730726) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID82730726
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCN(C(=O)N1C2CCC1CC(CC(=O)O)C2)C1CCOC1
InChIInChI=1S/C15H24N2O4/c1-16(13-4-5-21-9-13)15(20)17-11-2-3-12(17)7-10(6-11)8-14(18)19/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeySFFLVRXTCJSALK-UHFFFAOYSA-N
XLogP1.54
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610849
2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79613001
2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 113485738
1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 82730998
2-[(1S,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 98126153
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
2-(8-propan-2-yloxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79608218
2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid
CID 67212704
2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82732714
2-[8-[2-(azetidin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608873

Frequently Asked Questions

What is the IUPAC name of 2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 82730726) is 2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CN(C(=O)N1C2CCC1CC(CC(=O)O)C2)C1CCOC1.
What is the InChIKey of 2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is SFFLVRXTCJSALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-16(13-4-5-21-9-13)15(20)17-11-2-3-12(17)7-10(6-11)8-14(18)19/h10-13H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 82730726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).