3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide

C8H13N3O3 — CID 171869595

IUPAC3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide
SMILESCCn1ccnc1C(O)C(O)C(N)=O
InChIInChI=1S/C8H13N3O3/c1-2-11-4-3-10-8(11)6(13)5(12)7(9)14/h3-6,12-13H,2H2,1H3,(H2,9,14)
InChIKeyIYFSRWAMPLNRFP-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.22
Rot. Bonds4

About 3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide

3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide (PubChem CID 171869595) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide
PubChem CID171869595
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide
SMILESCCn1ccnc1C(O)C(O)C(N)=O
InChIInChI=1S/C8H13N3O3/c1-2-11-4-3-10-8(11)6(13)5(12)7(9)14/h3-6,12-13H,2H2,1H3,(H2,9,14)
InChIKeyIYFSRWAMPLNRFP-UHFFFAOYSA-N
XLogP-1.22
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
CID 103457324
1-(1-ethylimidazol-2-yl)-2-methoxypropan-1-ol
CID 79616649
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol
CID 116712316
3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
CID 106171215
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-hydroxypropanamide
CID 106170778
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62939329
3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol
CID 63215997
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide (CID 171869595) is 3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide is CCn1ccnc1C(O)C(O)C(N)=O.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide?
The InChIKey is IYFSRWAMPLNRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-11-4-3-10-8(11)6(13)5(12)7(9)14/h3-6,12-13H,2H2,1H3,(H2,9,14).
What are the key properties of 3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide?
3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide has a molecular weight of 199.21 g/mol, XLogP of -1.22, 4 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)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).