2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane

C10H19N3O — CID 168886358

IUPAC2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane
SMILESCC.CCC(=O)C(N)Cc1cnc[nH]1
InChIInChI=1S/C8H13N3O.C2H6/c1-2-8(12)7(9)3-6-4-10-5-11-6;1-2/h4-5,7H,2-3,9H2,1H3,(H,10,11);1-2H3
InChIKeyGGSFCNOZMLHREA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane

2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane (PubChem CID 168886358) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane.

Molecular Properties

Compound Name2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane
PubChem CID168886358
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane
SMILESCC.CCC(=O)C(N)Cc1cnc[nH]1
InChIInChI=1S/C8H13N3O.C2H6/c1-2-8(12)7(9)3-6-4-10-5-11-6;1-2/h4-5,7H,2-3,9H2,1H3,(H,10,11);1-2H3
InChIKeyGGSFCNOZMLHREA-UHFFFAOYSA-N
XLogP1.28
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
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(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
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ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
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[(2S)-2-aminopropanoyl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
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(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane?
The IUPAC name of 2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane (CID 168886358) is 2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane.
What is the SMILES notation for 2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane?
The canonical SMILES for 2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane is CC.CCC(=O)C(N)Cc1cnc[nH]1.
What is the InChIKey of 2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane?
The InChIKey is GGSFCNOZMLHREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.C2H6/c1-2-8(12)7(9)3-6-4-10-5-11-6;1-2/h4-5,7H,2-3,9H2,1H3,(H,10,11);1-2H3.
What are the key properties of 2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane?
2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane has a molecular weight of 197.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane is sourced from PubChem (CID 168886358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).