(1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C16H23NO5 — CID 166262326

IUPAC(1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21
InChIInChI=1S/C16H23NO5/c18-15(14-11-3-4-21-6-10(11)7-22-14)17-13-9-2-1-8(5-9)12(13)16(19)20/h8-14H,1-7H2,(H,17,18)(H,19,20)/t8-,9+,10+,11+,12+,13-,14-/m1/s1
InChIKeyGOLJHKNQRLNKKZ-LZRJYULZSA-N
MW309.36 g/mol
LogP0.65
Rot. Bonds3

About (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid

(1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 166262326) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID166262326
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21
InChIInChI=1S/C16H23NO5/c18-15(14-11-3-4-21-6-10(11)7-22-14)17-13-9-2-1-8(5-9)12(13)16(19)20/h8-14H,1-7H2,(H,17,18)(H,19,20)/t8-,9+,10+,11+,12+,13-,14-/m1/s1
InChIKeyGOLJHKNQRLNKKZ-LZRJYULZSA-N
XLogP0.65
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 166262326) is (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21.
What is the InChIKey of (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is GOLJHKNQRLNKKZ-LZRJYULZSA-N. The full InChI is InChI=1S/C16H23NO5/c18-15(14-11-3-4-21-6-10(11)7-22-14)17-13-9-2-1-8(5-9)12(13)16(19)20/h8-14H,1-7H2,(H,17,18)(H,19,20)/t8-,9+,10+,11+,12+,13-,14-/m1/s1.
What are the key properties of (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 309.36 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-3-[[(1R,3aS,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 166262326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).