(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C6H9NO2 — CID 170429882

IUPAC(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESO=C(O)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C6H9NO2/c8-6(9)7-2-4-1-5(4)3-7/h4-5H,1-3H2,(H,8,9)/t4-,5+
InChIKeySEEDLQLGVMDWNC-SYDPRGILSA-N
MW127.14 g/mol
LogP0.62
Rot. Bonds

About (1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 170429882) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID170429882
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESO=C(O)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C6H9NO2/c8-6(9)7-2-4-1-5(4)3-7/h4-5H,1-3H2,(H,8,9)/t4-,5+
InChIKeySEEDLQLGVMDWNC-SYDPRGILSA-N
XLogP0.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 134587542
3-azabicyclo[5.1.0]octane-3-carboxylic acid
CID 150365734
3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
CID 140973095
2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid
CID 135347050
(4aR,6S,7aS)-6-methylsulfonyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylic acid
CID 141384265
8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid
CID 57429701
8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 118977842
8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69144156
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
(3aR,6aS)-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-oxirane]-2-carboxylic acid
CID 118292011
1-(3-azabicyclo[3.1.0]hexan-3-yl)prop-2-en-1-one
CID 127014556
3-aminoazetidine-1-carboxylic acid;hydrochloride
CID 126721297

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 170429882) is (1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is O=C(O)N1C[C@H]2C[C@H]2C1.
What is the InChIKey of (1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is SEEDLQLGVMDWNC-SYDPRGILSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)7-2-4-1-5(4)3-7/h4-5H,1-3H2,(H,8,9)/t4-,5+.
What are the key properties of (1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 170429882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).