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

C7H12ClNO3 — CID 155905217

IUPAC(1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@]12CC[C@@H](N1)[C@@H](O)C2
InChIInChI=1S/C7H11NO3.ClH/c9-5-3-7(6(10)11)2-1-4(5)8-7;/h4-5,8-9H,1-3H2,(H,10,11);1H/t4-,5+,7+;/m1./s1
InChIKeyUTWJYPKOLIWBJE-QXRFUWKISA-N
MW193.63 g/mol
LogP-0.25
Rot. Bonds1

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

(1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride (PubChem CID 155905217) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
PubChem CID155905217
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Name(1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@]12CC[C@@H](N1)[C@@H](O)C2
InChIInChI=1S/C7H11NO3.ClH/c9-5-3-7(6(10)11)2-1-4(5)8-7;/h4-5,8-9H,1-3H2,(H,10,11);1H/t4-,5+,7+;/m1./s1
InChIKeyUTWJYPKOLIWBJE-QXRFUWKISA-N
XLogP-0.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 102063959
(1S,4R)-5-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 102086861
3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride
CID 155895019
(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 138645603
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
(1S,6R)-3-azabicyclo[4.1.0]heptane-1-carboxylic acid;hydrochloride
CID 71756356
(1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride
CID 56927460
2-azabicyclo[2.1.1]hexane-4-carboxylic acid;hydrochloride
CID 139026825
cis-(3S,5R)-2-chloro-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride
CID 162312714
carbonic acid;cyclobutane-1,2-diol
CID 122598363

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride?
The IUPAC name of (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride (CID 155905217) is (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride?
The canonical SMILES for (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@]12CC[C@@H](N1)[C@@H](O)C2.
What is the InChIKey of (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride?
The InChIKey is UTWJYPKOLIWBJE-QXRFUWKISA-N. The full InChI is InChI=1S/C7H11NO3.ClH/c9-5-3-7(6(10)11)2-1-4(5)8-7;/h4-5,8-9H,1-3H2,(H,10,11);1H/t4-,5+,7+;/m1./s1.
What are the key properties of (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride?
(1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 155905217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).