CID 58171110

C12H15N2O3 — CID 58171110

IUPAC—
SMILESN[C@@H](C[C@@]1(CO)[CH]Nc2ccccc21)C(=O)O
InChIInChI=1S/C12H15N2O3/c13-9(11(16)17)5-12(7-15)6-14-10-4-2-1-3-8(10)12/h1-4,6,9,14-15H,5,7,13H2,(H,16,17)/t9-,12-/m0/s1
InChIKeyKPMJKVAEJQWPRR-CABZTGNLSA-N
MW235.26 g/mol
LogP0.31
Rot. Bonds4

About CID 58171110

CID 58171110 (PubChem CID 58171110) has the molecular formula C12H15N2O3 and a molecular weight of 235.26 g/mol.

Molecular Properties

Compound NameCID 58171110
PubChem CID58171110
Molecular FormulaC12H15N2O3
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name—
SMILESN[C@@H](C[C@@]1(CO)[CH]Nc2ccccc21)C(=O)O
InChIInChI=1S/C12H15N2O3/c13-9(11(16)17)5-12(7-15)6-14-10-4-2-1-3-8(10)12/h1-4,6,9,14-15H,5,7,13H2,(H,16,17)/t9-,12-/m0/s1
InChIKeyKPMJKVAEJQWPRR-CABZTGNLSA-N
XLogP0.31
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58171110?
The IUPAC name of CID 58171110 (CID 58171110) is not available.
What is the SMILES notation for CID 58171110?
The canonical SMILES for CID 58171110 is N[C@@H](C[C@@]1(CO)[CH]Nc2ccccc21)C(=O)O.
What is the InChIKey of CID 58171110?
The InChIKey is KPMJKVAEJQWPRR-CABZTGNLSA-N. The full InChI is InChI=1S/C12H15N2O3/c13-9(11(16)17)5-12(7-15)6-14-10-4-2-1-3-8(10)12/h1-4,6,9,14-15H,5,7,13H2,(H,16,17)/t9-,12-/m0/s1.
What are the key properties of CID 58171110?
CID 58171110 has a molecular weight of 235.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58171110 is sourced from PubChem (CID 58171110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).