2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid

C17H25N3O2 — CID 155958394

IUPAC2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid
SMILESO=C(O)C(NCc1ccnn1CC1CCC1)C1CC2CC2C1
InChIInChI=1S/C17H25N3O2/c21-17(22)16(14-7-12-6-13(12)8-14)18-9-15-4-5-19-20(15)10-11-2-1-3-11/h4-5,11-14,16,18H,1-3,6-10H2,(H,21,22)
InChIKeyYRHALEIPJUWXJZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.27
Rot. Bonds7

About 2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid

2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid (PubChem CID 155958394) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid
PubChem CID155958394
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid
SMILESO=C(O)C(NCc1ccnn1CC1CCC1)C1CC2CC2C1
InChIInChI=1S/C17H25N3O2/c21-17(22)16(14-7-12-6-13(12)8-14)18-9-15-4-5-19-20(15)10-11-2-1-3-11/h4-5,11-14,16,18H,1-3,6-10H2,(H,21,22)
InChIKeyYRHALEIPJUWXJZ-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid?
The IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid (CID 155958394) is 2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid is O=C(O)C(NCc1ccnn1CC1CCC1)C1CC2CC2C1.
What is the InChIKey of 2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid?
The InChIKey is YRHALEIPJUWXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(22)16(14-7-12-6-13(12)8-14)18-9-15-4-5-19-20(15)10-11-2-1-3-11/h4-5,11-14,16,18H,1-3,6-10H2,(H,21,22).
What are the key properties of 2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid?
2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid has a molecular weight of 303.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[3.1.0]hexanyl)-2-[[2-(cyclobutylmethyl)pyrazol-3-yl]methylamino]acetic acid is sourced from PubChem (CID 155958394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).