4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid

C10H16N4O3 — CID 15234230

IUPAC4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H16N4O3/c11-8(1-2-9(15)16)10(17)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,17)(H,15,16)
InChIKeyFLEVPMVPMJVEDN-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.74
Rot. Bonds7

About 4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid

4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 15234230) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
PubChem CID15234230
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H16N4O3/c11-8(1-2-9(15)16)10(17)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,17)(H,15,16)
InChIKeyFLEVPMVPMJVEDN-UHFFFAOYSA-N
XLogP-0.74
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid (CID 15234230) is 4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is FLEVPMVPMJVEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-8(1-2-9(15)16)10(17)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,17)(H,15,16).
What are the key properties of 4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid?
4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.74, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 15234230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).