ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate

C10H14FN3O3 — CID 163658912

IUPACethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate
SMILESCCOC(=O)C(NO)c1ncn2c1C[C@@H](F)C2
InChIInChI=1S/C10H14FN3O3/c1-2-17-10(15)9(13-16)8-7-3-6(11)4-14(7)5-12-8/h5-6,9,13,16H,2-4H2,1H3/t6-,9?/m1/s1
InChIKeyISRLTDVREHQCFH-VJSCVCEBSA-N
MW243.24 g/mol
LogP0.36
Rot. Bonds4

About ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate

ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate (PubChem CID 163658912) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate.

Molecular Properties

Compound Nameethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate
PubChem CID163658912
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Nameethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate
SMILESCCOC(=O)C(NO)c1ncn2c1C[C@@H](F)C2
InChIInChI=1S/C10H14FN3O3/c1-2-17-10(15)9(13-16)8-7-3-6(11)4-14(7)5-12-8/h5-6,9,13,16H,2-4H2,1H3/t6-,9?/m1/s1
InChIKeyISRLTDVREHQCFH-VJSCVCEBSA-N
XLogP0.36
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate with MolForge

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Related Compounds

ethyl 2-[(6R)-6-fluoro-5H,6H,7H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 153380890
ethyl (2E)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-hydroxyiminoacetate
CID 155426397
ethyl 2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 156505717
ethyl (2Z)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-hydroxyiminoacetate
CID 156505938
2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetic acid
CID 156506240
2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
CID 156506241
ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-hydroxyiminoacetate
CID 156636340
[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-hydroxyiminoethyl] acetate
CID 157801797
[2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate
CID 161138071
2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetic acid
CID 168102449
ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate
CID 168793445
iodo 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-formamidoacetate
CID 169679050

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate?
The IUPAC name of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate (CID 163658912) is ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate.
What is the SMILES notation for ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate?
The canonical SMILES for ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate is CCOC(=O)C(NO)c1ncn2c1C[C@@H](F)C2.
What is the InChIKey of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate?
The InChIKey is ISRLTDVREHQCFH-VJSCVCEBSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-2-17-10(15)9(13-16)8-7-3-6(11)4-14(7)5-12-8/h5-6,9,13,16H,2-4H2,1H3/t6-,9?/m1/s1.
What are the key properties of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate?
ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate has a molecular weight of 243.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate is sourced from PubChem (CID 163658912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).