3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide

C9H16N4O2 — CID 106171215

IUPAC3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
SMILESCCn1ccnc1CNCC(O)C(N)=O
InChIInChI=1S/C9H16N4O2/c1-2-13-4-3-12-8(13)6-11-5-7(14)9(10)15/h3-4,7,11,14H,2,5-6H2,1H3,(H2,10,15)
InChIKeyYLEFZHFUBLFPDL-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.16
Rot. Bonds6

About 3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide

3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide (PubChem CID 106171215) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
PubChem CID106171215
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
SMILESCCn1ccnc1CNCC(O)C(N)=O
InChIInChI=1S/C9H16N4O2/c1-2-13-4-3-12-8(13)6-11-5-7(14)9(10)15/h3-4,7,11,14H,2,5-6H2,1H3,(H2,10,15)
InChIKeyYLEFZHFUBLFPDL-UHFFFAOYSA-N
XLogP-1.16
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-hydroxypropanamide
CID 106170778
3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
CID 62223381
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
CID 106171023
3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide
CID 171869595
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
CID 66402680
1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one
CID 116564884
N-[(1-ethylimidazol-2-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 62350659

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide (CID 106171215) is 3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide is CCn1ccnc1CNCC(O)C(N)=O.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide?
The InChIKey is YLEFZHFUBLFPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-13-4-3-12-8(13)6-11-5-7(14)9(10)15/h3-4,7,11,14H,2,5-6H2,1H3,(H2,10,15).
What are the key properties of 3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide?
3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide has a molecular weight of 212.25 g/mol, XLogP of -1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).