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

C7H10N2O3 — CID 170163550

IUPAC(1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESNC(=O)[C@@]12C[C@@H]1CN(C(=O)O)C2
InChIInChI=1S/C7H10N2O3/c8-5(10)7-1-4(7)2-9(3-7)6(11)12/h4H,1-3H2,(H2,8,10)(H,11,12)/t4-,7-/m1/s1
InChIKeyGZEHQYLXXLNLJK-CLZZGJSISA-N
MW170.17 g/mol
LogP-0.53
Rot. Bonds1

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

(1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 170163550) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID170163550
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESNC(=O)[C@@]12C[C@@H]1CN(C(=O)O)C2
InChIInChI=1S/C7H10N2O3/c8-5(10)7-1-4(7)2-9(3-7)6(11)12/h4H,1-3H2,(H2,8,10)(H,11,12)/t4-,7-/m1/s1
InChIKeyGZEHQYLXXLNLJK-CLZZGJSISA-N
XLogP-0.53
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 170163550) is (1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is NC(=O)[C@@]12C[C@@H]1CN(C(=O)O)C2.
What is the InChIKey of (1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is GZEHQYLXXLNLJK-CLZZGJSISA-N. The full InChI is InChI=1S/C7H10N2O3/c8-5(10)7-1-4(7)2-9(3-7)6(11)12/h4H,1-3H2,(H2,8,10)(H,11,12)/t4-,7-/m1/s1.
What are the key properties of (1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 170163550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).