CID 59005243

C7H15N2O4 — CID 59005243

IUPAC—
SMILES[NH]CCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C7H15N2O4/c8-2-1-6(13)9-7(3-10,4-11)5-12/h8,10-12H,1-5H2,(H,9,13)
InChIKeyZJLLFUTVESTEFI-UHFFFAOYSA-N
MW191.21 g/mol
LogP-2.51
Rot. Bonds6

About CID 59005243

CID 59005243 (PubChem CID 59005243) has the molecular formula C7H15N2O4 and a molecular weight of 191.21 g/mol.

Molecular Properties

Compound NameCID 59005243
PubChem CID59005243
Molecular FormulaC7H15N2O4
Molecular Weight191.21 g/mol
Exact Mass191.10
IUPAC Name—
SMILES[NH]CCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C7H15N2O4/c8-2-1-6(13)9-7(3-10,4-11)5-12/h8,10-12H,1-5H2,(H,9,13)
InChIKeyZJLLFUTVESTEFI-UHFFFAOYSA-N
XLogP-2.51
TPSA113.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 59005243?
The IUPAC name of CID 59005243 (CID 59005243) is not available.
What is the SMILES notation for CID 59005243?
The canonical SMILES for CID 59005243 is [NH]CCC(=O)NC(CO)(CO)CO.
What is the InChIKey of CID 59005243?
The InChIKey is ZJLLFUTVESTEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O4/c8-2-1-6(13)9-7(3-10,4-11)5-12/h8,10-12H,1-5H2,(H,9,13).
What are the key properties of CID 59005243?
CID 59005243 has a molecular weight of 191.21 g/mol, XLogP of -2.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59005243 is sourced from PubChem (CID 59005243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).