ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate

C9H15N3O2 — CID 62961673

IUPACethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1nccn1C
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)7(10)6-8-11-4-5-12(8)2/h4-5,7H,3,6,10H2,1-2H3
InChIKeyZRNFFSPHFQDYTA-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.15
Rot. Bonds4

About ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate

ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate (PubChem CID 62961673) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
PubChem CID62961673
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1nccn1C
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)7(10)6-8-11-4-5-12(8)2/h4-5,7H,3,6,10H2,1-2H3
InChIKeyZRNFFSPHFQDYTA-UHFFFAOYSA-N
XLogP-0.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-fluoro-3-(1-methylimidazol-2-yl)propanoate
CID 79738546
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077
3-amino-4-methoxy-1-(1-methylimidazol-2-yl)butan-2-one
CID 116594114
ethyl 2-[2-(1-methylimidazol-2-yl)ethylamino]butanoate
CID 64669742
2-amino-3-(1-methylimidazol-2-yl)-1-piperazin-1-ylpropan-1-one
CID 82510942
4-amino-5-(1-methylimidazol-2-yl)pentanoic acid
CID 62962598
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390
1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79753127
ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate
CID 11197077
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
(1-methylimidazol-2-yl)methyl propanoate
CID 166101479
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate (CID 62961673) is ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate is CCOC(=O)C(N)Cc1nccn1C.
What is the InChIKey of ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate?
The InChIKey is ZRNFFSPHFQDYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-14-9(13)7(10)6-8-11-4-5-12(8)2/h4-5,7H,3,6,10H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate?
ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate has a molecular weight of 197.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate is sourced from PubChem (CID 62961673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).