(1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid

C15H17NO4 — CID 166258823

IUPAC(1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid
SMILESO=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1ccc(C2CC2)o1
InChIInChI=1S/C15H17NO4/c17-13(12-4-3-11(20-12)8-1-2-8)16-10-5-9-6-15(9,7-10)14(18)19/h3-4,8-10H,1-2,5-7H2,(H,16,17)(H,18,19)/t9-,10+,15+/m1/s1
InChIKeyAXHYEAWUHNXFKQ-FTGAXOIBSA-N
MW275.30 g/mol
LogP2.14
Rot. Bonds4

About (1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid

(1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 166258823) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID166258823
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid
SMILESO=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1ccc(C2CC2)o1
InChIInChI=1S/C15H17NO4/c17-13(12-4-3-11(20-12)8-1-2-8)16-10-5-9-6-15(9,7-10)14(18)19/h3-4,8-10H,1-2,5-7H2,(H,16,17)(H,18,19)/t9-,10+,15+/m1/s1
InChIKeyAXHYEAWUHNXFKQ-FTGAXOIBSA-N
XLogP2.14
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of (1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid (CID 166258823) is (1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for (1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for (1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid is O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1ccc(C2CC2)o1.
What is the InChIKey of (1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is AXHYEAWUHNXFKQ-FTGAXOIBSA-N. The full InChI is InChI=1S/C15H17NO4/c17-13(12-4-3-11(20-12)8-1-2-8)16-10-5-9-6-15(9,7-10)14(18)19/h3-4,8-10H,1-2,5-7H2,(H,16,17)(H,18,19)/t9-,10+,15+/m1/s1.
What are the key properties of (1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid?
(1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S)-3-[(5-cyclopropylfuran-2-carbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 166258823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).