ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate

C10H14N4O2 — CID 153380888

IUPACethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate
SMILES[H]/N=C1/Cc2c(C(N)C(=O)OCC)ncn2C1
InChIInChI=1S/C10H14N4O2/c1-2-16-10(15)8(12)9-7-3-6(11)4-14(7)5-13-9/h5,8,11H,2-4,12H2,1H3/b11-6-
InChIKeyRXOHHBLKKPRQTC-WDZFZDKYSA-N
MW222.25 g/mol
LogP0.02
Rot. Bonds3

About ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate

ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate (PubChem CID 153380888) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate
PubChem CID153380888
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Nameethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate
SMILES[H]/N=C1/Cc2c(C(N)C(=O)OCC)ncn2C1
InChIInChI=1S/C10H14N4O2/c1-2-16-10(15)8(12)9-7-3-6(11)4-14(7)5-13-9/h5,8,11H,2-4,12H2,1H3/b11-6-
InChIKeyRXOHHBLKKPRQTC-WDZFZDKYSA-N
XLogP0.02
TPSA93.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl (R)-2-(6-fluoro-6,7-dihydro-5H-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
ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-hydroxyiminoacetate
CID 156636340
[2-amino-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate
CID 161138071
ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate
CID 163658912
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
ethyl 2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 171035258
ethyl (2E)-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-hydroxyiminoacetate
CID 172975182

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate?
The IUPAC name of ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate (CID 153380888) is ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate is [H]/N=C1/Cc2c(C(N)C(=O)OCC)ncn2C1.
What is the InChIKey of ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate?
The InChIKey is RXOHHBLKKPRQTC-WDZFZDKYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-2-16-10(15)8(12)9-7-3-6(11)4-14(7)5-13-9/h5,8,11H,2-4,12H2,1H3/b11-6-.
What are the key properties of ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate?
ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate has a molecular weight of 222.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(6-imino-5,7-dihydropyrrolo[1,2-c]imidazol-1-yl)acetate is sourced from PubChem (CID 153380888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).