ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate

C8H13N3O2 — CID 18604488

IUPACethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1ncc[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-13-8(12)6(9)5-7-10-3-4-11-7/h3-4,6H,2,5,9H2,1H3,(H,10,11)
InChIKeySZGSVVVASKOXMX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.16
Rot. Bonds4

About ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate

ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate (PubChem CID 18604488) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
PubChem CID18604488
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nameethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1ncc[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-13-8(12)6(9)5-7-10-3-4-11-7/h3-4,6H,2,5,9H2,1H3,(H,10,11)
InChIKeySZGSVVVASKOXMX-UHFFFAOYSA-N
XLogP-0.16
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate (CID 18604488) is ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate is CCOC(=O)C(N)Cc1ncc[nH]1.
What is the InChIKey of ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate?
The InChIKey is SZGSVVVASKOXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-13-8(12)6(9)5-7-10-3-4-11-7/h3-4,6H,2,5,9H2,1H3,(H,10,11).
What are the key properties of ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate?
ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate has a molecular weight of 183.21 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate is sourced from PubChem (CID 18604488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).