(1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid

C10H15NO3 — CID 97036655

IUPAC(1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]2CCC[C@@H](C1)C(=O)N2
InChIInChI=1S/C10H15NO3/c12-9-6-2-1-3-8(11-9)5-7(4-6)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14)/t6-,7-,8+/m0/s1
InChIKeyBCWBCPVTLOQGTO-BIIVOSGPSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds1

About (1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid

(1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid (PubChem CID 97036655) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid.

Molecular Properties

Compound Name(1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
PubChem CID97036655
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]2CCC[C@@H](C1)C(=O)N2
InChIInChI=1S/C10H15NO3/c12-9-6-2-1-3-8(11-9)5-7(4-6)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14)/t6-,7-,8+/m0/s1
InChIKeyBCWBCPVTLOQGTO-BIIVOSGPSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-3-(2-oxoazepan-3-yl)propanoic acid;hydrochloride
CID 70548731
2-Amino-3-(2-oxoazepan-3-yl)propanoic acid
CID 70548732
(1R,3R,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
CID 97036656
(1S,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
CID 98989557
(1S,3R,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
CID 98989558
10-Oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
CID 102547780
(1R,3S,5R)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
CID 129374848
(1R,3R,5R)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
CID 129374849

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid?
The IUPAC name of (1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid (CID 97036655) is (1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid.
What is the SMILES notation for (1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid?
The canonical SMILES for (1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid is O=C(O)[C@@H]1C[C@H]2CCC[C@@H](C1)C(=O)N2.
What is the InChIKey of (1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid?
The InChIKey is BCWBCPVTLOQGTO-BIIVOSGPSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-6-2-1-3-8(11-9)5-7(4-6)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14)/t6-,7-,8+/m0/s1.
What are the key properties of (1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid?
(1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid is sourced from PubChem (CID 97036655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).