2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone

C9H14N4O2 — CID 129497089

IUPAC2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1C[C@@H](O)[C@H](n2ccnc2)C1
InChIInChI=1S/C9H14N4O2/c10-3-9(15)13-4-7(8(14)5-13)12-2-1-11-6-12/h1-2,6-8,14H,3-5,10H2/t7-,8-/m1/s1
InChIKeyFYEPVUXFZJPVOI-HTQZYQBOSA-N
MW210.24 g/mol
LogP-1.41
Rot. Bonds2

About 2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone

2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone (PubChem CID 129497089) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone
PubChem CID129497089
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1C[C@@H](O)[C@H](n2ccnc2)C1
InChIInChI=1S/C9H14N4O2/c10-3-9(15)13-4-7(8(14)5-13)12-2-1-11-6-12/h1-2,6-8,14H,3-5,10H2/t7-,8-/m1/s1
InChIKeyFYEPVUXFZJPVOI-HTQZYQBOSA-N
XLogP-1.41
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-chloro-1-[(3R,4S)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]propan-1-one
CID 129495840
2-chloro-1-(3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl)butan-1-one
CID 121203985
3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide
CID 121203994
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one
CID 129497156
1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 110108416
(3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol
CID 129497656
2,6-di(imidazol-1-yl)cyclohexan-1-ol
CID 91619575
(1R)-2-imidazol-1-ylcyclopentan-1-ol
CID 126638483
1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone
CID 130585938
2-amino-1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 135098549
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4S,5S)-4-hydroxy-5-imidazol-1-ylazepan-1-yl]ethanone
CID 110126793

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone (CID 129497089) is 2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone is NCC(=O)N1C[C@@H](O)[C@H](n2ccnc2)C1.
What is the InChIKey of 2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone?
The InChIKey is FYEPVUXFZJPVOI-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-3-9(15)13-4-7(8(14)5-13)12-2-1-11-6-12/h1-2,6-8,14H,3-5,10H2/t7-,8-/m1/s1.
What are the key properties of 2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone?
2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone has a molecular weight of 210.24 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129497089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).