1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide

C11H20N4O3 — CID 107865602

IUPAC1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H20N4O3/c1-2-11(6-16,7-17)14-10(18)9-5-15(4-3-12)8-13-9/h5,8,16-17H,2-4,6-7,12H2,1H3,(H,14,18)
InChIKeyLCQGWAWBDRMKOW-UHFFFAOYSA-N
MW256.31 g/mol
LogP-1.29
Rot. Bonds7

About 1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide (PubChem CID 107865602) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide
PubChem CID107865602
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H20N4O3/c1-2-11(6-16,7-17)14-10(18)9-5-15(4-3-12)8-13-9/h5,8,16-17H,2-4,6-7,12H2,1H3,(H,14,18)
InChIKeyLCQGWAWBDRMKOW-UHFFFAOYSA-N
XLogP-1.29
TPSA113.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
CID 107852911
1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide
CID 107498968
2-[[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]methyl]-2-ethylbutanoic acid
CID 107499474
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
CID 107499654
1-(2-aminoethyl)-N-(2-methylcyclopropyl)imidazole-4-carboxamide
CID 107498238
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
CID 107498921
1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide
CID 107498083
1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide
CID 107496221
1-(2-aminoethyl)-N-(2-ethylcyclohexyl)imidazole-4-carboxamide
CID 107496463
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide (CID 107865602) is 1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide is CCC(CO)(CO)NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide?
The InChIKey is LCQGWAWBDRMKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-2-11(6-16,7-17)14-10(18)9-5-15(4-3-12)8-13-9/h5,8,16-17H,2-4,6-7,12H2,1H3,(H,14,18).
What are the key properties of 1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of -1.29, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 107865602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).