5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid

C11H18N2O6 — CID 137350165

IUPAC5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCNC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O6/c14-8(2-1-3-10(16)17)12-6-7-13-9(15)4-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
InChIKeyJUHMDCQKNGDTCV-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.66
Rot. Bonds10

About 5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid

5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid (PubChem CID 137350165) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid
PubChem CID137350165
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCNC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O6/c14-8(2-1-3-10(16)17)12-6-7-13-9(15)4-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
InChIKeyJUHMDCQKNGDTCV-UHFFFAOYSA-N
XLogP-0.66
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid (CID 137350165) is 5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCCNC(=O)CCC(=O)O.
What is the InChIKey of 5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid?
The InChIKey is JUHMDCQKNGDTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c14-8(2-1-3-10(16)17)12-6-7-13-9(15)4-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19).
What are the key properties of 5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid?
5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.66, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-carboxypropanoylamino)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 137350165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).