1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid

C19H24N2O4 — CID 141387537

IUPAC1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(Cc3ccccc3C(N)=C2C(=O)O)C1
InChIInChI=1S/C19H24N2O4/c1-18(2,3)25-17(24)21-9-8-19(11-21)10-12-6-4-5-7-13(12)15(20)14(19)16(22)23/h4-7H,8-11,20H2,1-3H3,(H,22,23)
InChIKeyGLBZJTDAHPRNGO-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.62
Rot. Bonds1

About 1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid

1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid (PubChem CID 141387537) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid
PubChem CID141387537
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(Cc3ccccc3C(N)=C2C(=O)O)C1
InChIInChI=1S/C19H24N2O4/c1-18(2,3)25-17(24)21-9-8-19(11-21)10-12-6-4-5-7-13(12)15(20)14(19)16(22)23/h4-7H,8-11,20H2,1-3H3,(H,22,23)
InChIKeyGLBZJTDAHPRNGO-UHFFFAOYSA-N
XLogP2.62
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid?
The IUPAC name of 1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid (CID 141387537) is 1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid.
What is the SMILES notation for 1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid?
The canonical SMILES for 1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC2(Cc3ccccc3C(N)=C2C(=O)O)C1.
What is the InChIKey of 1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid?
The InChIKey is GLBZJTDAHPRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-18(2,3)25-17(24)21-9-8-19(11-21)10-12-6-4-5-7-13(12)15(20)14(19)16(22)23/h4-7H,8-11,20H2,1-3H3,(H,22,23).
What are the key properties of 1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid?
1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid is sourced from PubChem (CID 141387537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).