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

C11H18N4O3 — CID 64890881

IUPAC4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid
SMILESCn1ccnc1CCNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H18N4O3/c1-15-7-6-13-9(15)4-5-14-11(18)8(12)2-3-10(16)17/h6-8H,2-5,12H2,1H3,(H,14,18)(H,16,17)
InChIKeyHEANUDVIMMNBMI-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.73
Rot. Bonds7

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

4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 64890881) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid
PubChem CID64890881
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid
SMILESCn1ccnc1CCNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H18N4O3/c1-15-7-6-13-9(15)4-5-14-11(18)8(12)2-3-10(16)17/h6-8H,2-5,12H2,1H3,(H,14,18)(H,16,17)
InChIKeyHEANUDVIMMNBMI-UHFFFAOYSA-N
XLogP-0.73
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
4-amino-5-(1-methylimidazol-2-yl)pentanoic acid
CID 62962598
4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 64890850
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
3-methoxy-4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 103159174
10-(1-methylimidazol-2-yl)decanoic acid
CID 69479217
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 10220386
3-cyclopropyl-3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 82003366
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
2,2-diethyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 61215314

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid (CID 64890881) is 4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid is Cn1ccnc1CCNC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is HEANUDVIMMNBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-15-7-6-13-9(15)4-5-14-11(18)8(12)2-3-10(16)17/h6-8H,2-5,12H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid?
4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 254.29 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64890881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).