2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C14H21NO4 — CID 104855839

IUPAC2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)[C@H]1CCCO1
InChIInChI=1S/C14H21NO4/c16-13(17)8-9-6-10-3-4-11(7-9)15(10)14(18)12-2-1-5-19-12/h9-12H,1-8H2,(H,16,17)/t9?,10?,11?,12-/m1/s1
InChIKeyHRKLUEDZXLWWTH-XHUCQOSOSA-N
MW267.32 g/mol
LogP1.41
Rot. Bonds3

About 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 104855839) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID104855839
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)[C@H]1CCCO1
InChIInChI=1S/C14H21NO4/c16-13(17)8-9-6-10-3-4-11(7-9)15(10)14(18)12-2-1-5-19-12/h9-12H,1-8H2,(H,16,17)/t9?,10?,11?,12-/m1/s1
InChIKeyHRKLUEDZXLWWTH-XHUCQOSOSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

2-[8-(oxane-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79614863
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone
CID 103873635
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R)-oxolan-2-yl]methanone
CID 103850249
2-[8-(azetidine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608795
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-2-yl)methanone
CID 80677764
3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone
CID 89273584
2-[8-(cyclohex-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615500
2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 104855615
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606577
2-[8-[2-(azetidin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608873
2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79612484

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 104855839) is 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2C(=O)[C@H]1CCCO1.
What is the InChIKey of 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is HRKLUEDZXLWWTH-XHUCQOSOSA-N. The full InChI is InChI=1S/C14H21NO4/c16-13(17)8-9-6-10-3-4-11(7-9)15(10)14(18)12-2-1-5-19-12/h9-12H,1-8H2,(H,16,17)/t9?,10?,11?,12-/m1/s1.
What are the key properties of 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 267.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 104855839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).