azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid

C10H22N4O6 — CID 170847055

IUPACazane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid
SMILESN.N.O=C(O)CCC(=O)NCCNC(=O)CCC(=O)O
InChIInChI=1S/C10H16N2O6.2H3N/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18;;/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18);2*1H3
InChIKeyUOGRUYUDAUFIAE-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.73
Rot. Bonds9

About azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid

azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid (PubChem CID 170847055) has the molecular formula C10H22N4O6 and a molecular weight of 294.31 g/mol. Its IUPAC name is azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Nameazane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid
PubChem CID170847055
Molecular FormulaC10H22N4O6
Molecular Weight294.31 g/mol
Exact Mass294.15
IUPAC Nameazane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid
SMILESN.N.O=C(O)CCC(=O)NCCNC(=O)CCC(=O)O
InChIInChI=1S/C10H16N2O6.2H3N/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18;;/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18);2*1H3
InChIKeyUOGRUYUDAUFIAE-UHFFFAOYSA-N
XLogP-0.73
TPSA202.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid?
The IUPAC name of azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid (CID 170847055) is azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid is N.N.O=C(O)CCC(=O)NCCNC(=O)CCC(=O)O.
What is the InChIKey of azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid?
The InChIKey is UOGRUYUDAUFIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6.2H3N/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18;;/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18);2*1H3.
What are the key properties of azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid?
azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.73, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-[2-(3-carboxypropanoylamino)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 170847055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).