2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H24N2O4 — CID 79613001

IUPAC2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC1(C(=O)N2C3CCC2CC(CC(=O)O)C3)COCC1N
InChIInChI=1S/C15H24N2O4/c1-15(8-21-7-12(15)16)14(20)17-10-2-3-11(17)5-9(4-10)6-13(18)19/h9-12H,2-8,16H2,1H3,(H,18,19)
InChIKeyKQWULROWXLRMJQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.59
Rot. Bonds3

About 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79613001) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79613001
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC1(C(=O)N2C3CCC2CC(CC(=O)O)C3)COCC1N
InChIInChI=1S/C15H24N2O4/c1-15(8-21-7-12(15)16)14(20)17-10-2-3-11(17)5-9(4-10)6-13(18)19/h9-12H,2-8,16H2,1H3,(H,18,19)
InChIKeyKQWULROWXLRMJQ-UHFFFAOYSA-N
XLogP0.59
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 82730726
2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 113485738
2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609426
2-(8-but-3-enoyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79614997
2-[8-[2-(azetidin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608873
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone
CID 115559743
(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 66263900
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79028885
4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66264196
2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid
CID 67212704
3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 66264325

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79613001) is 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CC1(C(=O)N2C3CCC2CC(CC(=O)O)C3)COCC1N.
What is the InChIKey of 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is KQWULROWXLRMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(8-21-7-12(15)16)14(20)17-10-2-3-11(17)5-9(4-10)6-13(18)19/h9-12H,2-8,16H2,1H3,(H,18,19).
What are the key properties of 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79613001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).