CID 59970644

C10H14N3O5 — CID 59970644

IUPAC—
SMILES[NH]C(=O)C(CC(=O)NCCO)N1C(=O)CCC1=O
InChIInChI=1S/C10H14N3O5/c11-10(18)6(5-7(15)12-3-4-14)13-8(16)1-2-9(13)17/h6,11,14H,1-5H2,(H,12,15)
InChIKeyYXDUVDLFPKSCGC-UHFFFAOYSA-N
MW256.24 g/mol
LogP-2.19
Rot. Bonds6

About CID 59970644

CID 59970644 (PubChem CID 59970644) has the molecular formula C10H14N3O5 and a molecular weight of 256.24 g/mol.

Molecular Properties

Compound NameCID 59970644
PubChem CID59970644
Molecular FormulaC10H14N3O5
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC Name—
SMILES[NH]C(=O)C(CC(=O)NCCO)N1C(=O)CCC1=O
InChIInChI=1S/C10H14N3O5/c11-10(18)6(5-7(15)12-3-4-14)13-8(16)1-2-9(13)17/h6,11,14H,1-5H2,(H,12,15)
InChIKeyYXDUVDLFPKSCGC-UHFFFAOYSA-N
XLogP-2.19
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59970644?
The IUPAC name of CID 59970644 (CID 59970644) is not available.
What is the SMILES notation for CID 59970644?
The canonical SMILES for CID 59970644 is [NH]C(=O)C(CC(=O)NCCO)N1C(=O)CCC1=O.
What is the InChIKey of CID 59970644?
The InChIKey is YXDUVDLFPKSCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3O5/c11-10(18)6(5-7(15)12-3-4-14)13-8(16)1-2-9(13)17/h6,11,14H,1-5H2,(H,12,15).
What are the key properties of CID 59970644?
CID 59970644 has a molecular weight of 256.24 g/mol, XLogP of -2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59970644 is sourced from PubChem (CID 59970644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).