(1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid

C7H11NO3 — CID 102063959

IUPAC(1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)[C@]12CC[C@H](N1)[C@H](O)C2
InChIInChI=1S/C7H11NO3/c9-5-3-7(6(10)11)2-1-4(5)8-7/h4-5,8-9H,1-3H2,(H,10,11)/t4-,5+,7+/m0/s1
InChIKeyFEWLBWFAAPVAFV-HBPOCXIASA-N
MW157.17 g/mol
LogP-0.67
Rot. Bonds1

About (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid

(1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 102063959) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID102063959
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)[C@]12CC[C@H](N1)[C@H](O)C2
InChIInChI=1S/C7H11NO3/c9-5-3-7(6(10)11)2-1-4(5)8-7/h4-5,8-9H,1-3H2,(H,10,11)/t4-,5+,7+/m0/s1
InChIKeyFEWLBWFAAPVAFV-HBPOCXIASA-N
XLogP-0.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
CID 155905217
(1S,4R)-5-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 102086861
(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 138645603
3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride
CID 155895019
cis-(3S,4R)-3,4-dihydroxycyclohexane-1,1-dicarboxylic acid
CID 102177951
(1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid
CID 129413549
(1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride
CID 73357666
carbonic acid;cyclobutane-1,2-diol
CID 122598363
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-dicarboxylic acid
CID 13022294
cis-(1S,3S)-3-hydroxy-1-methylcyclopentane-1-carboxylic acid
CID 66753163
trans-(3R,5R)-1,2,3,4,5-pentahydroxycyclohexane-1-carboxylic acid
CID 156612513
(1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid
CID 98111876

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid (CID 102063959) is (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid is O=C(O)[C@]12CC[C@H](N1)[C@H](O)C2.
What is the InChIKey of (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is FEWLBWFAAPVAFV-HBPOCXIASA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-3-7(6(10)11)2-1-4(5)8-7/h4-5,8-9H,1-3H2,(H,10,11)/t4-,5+,7+/m0/s1.
What are the key properties of (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid?
(1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 102063959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).