ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate

C9H15N3O2 — CID 62761601

IUPACethyl 2-(1H-imidazol-5-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCc1cnc[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)7(2)11-5-8-4-10-6-12-8/h4,6-7,11H,3,5H2,1-2H3,(H,10,12)
InChIKeyMYAWMEZSSMTDHY-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.45
Rot. Bonds5

About ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate

ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate (PubChem CID 62761601) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(1H-imidazol-5-ylmethylamino)propanoate
PubChem CID62761601
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 2-(1H-imidazol-5-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCc1cnc[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)7(2)11-5-8-4-10-6-12-8/h4,6-7,11H,3,5H2,1-2H3,(H,10,12)
InChIKeyMYAWMEZSSMTDHY-UHFFFAOYSA-N
XLogP0.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548
[(2S)-1-ethoxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]azanium
CID 7015307
ethyl (2R)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 130225450
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
ethyl 3-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761064
2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide
CID 115747411
2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 112690595
2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol
CID 79254560
2-[(2-amino-3-ethoxy-3-oxopropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864217
(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
CID 79014032
3-(1H-imidazol-5-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 115642715
ethyl 4-(1H-imidazol-5-yl)-2-oxobutanoate
CID 70557338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate?
The IUPAC name of ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate (CID 62761601) is ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate?
The canonical SMILES for ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate is CCOC(=O)C(C)NCc1cnc[nH]1.
What is the InChIKey of ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate?
The InChIKey is MYAWMEZSSMTDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-14-9(13)7(2)11-5-8-4-10-6-12-8/h4,6-7,11H,3,5H2,1-2H3,(H,10,12).
What are the key properties of ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate?
ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate has a molecular weight of 197.24 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate is sourced from PubChem (CID 62761601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).