(2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid

C9H15NO3 — CID 172577010

IUPAC(2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1[C@@H]2CC[C@H]1COC2
InChIInChI=1S/C9H15NO3/c1-6(9(11)12)10-7-2-3-8(10)5-13-4-7/h6-8H,2-5H2,1H3,(H,11,12)/t6-,7-,8+/m1/s1
InChIKeyONEYBGFMETYOJQ-PRJMDXOYSA-N
MW185.22 g/mol
LogP0.32
Rot. Bonds2

About (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid

(2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid (PubChem CID 172577010) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid
PubChem CID172577010
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1[C@@H]2CC[C@H]1COC2
InChIInChI=1S/C9H15NO3/c1-6(9(11)12)10-7-2-3-8(10)5-13-4-7/h6-8H,2-5H2,1H3,(H,11,12)/t6-,7-,8+/m1/s1
InChIKeyONEYBGFMETYOJQ-PRJMDXOYSA-N
XLogP0.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid with MolForge

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Related Compounds

methyl 2-[(1R,5R)-1-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetate
CID 70062350
(2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanal
CID 172577020
(2S)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid
CID 172577031
(2S)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanal
CID 172577034
2-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid
CID 176955971
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66391349
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoic acid
CID 66391351
1-[(5-Methyloxolan-2-yl)methyl]piperidine-2-carboxylic acid
CID 82838924
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
CID 83040581
2-(2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanoic acid
CID 84765927
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanoic acid
CID 104083439
2-(2-(Ethoxymethyl)pyrrolidin-1-yl)propanoic acid
CID 121201500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid?
The IUPAC name of (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid (CID 172577010) is (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid is C[C@H](C(=O)O)N1[C@@H]2CC[C@H]1COC2.
What is the InChIKey of (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid?
The InChIKey is ONEYBGFMETYOJQ-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(9(11)12)10-7-2-3-8(10)5-13-4-7/h6-8H,2-5H2,1H3,(H,11,12)/t6-,7-,8+/m1/s1.
What are the key properties of (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid?
(2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid is sourced from PubChem (CID 172577010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).