ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate

C11H18N2O2 — CID 66518218

IUPACethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1[nH]c(C)cc1C
InChIInChI=1S/C11H18N2O2/c1-4-15-11(14)9(12)6-10-7(2)5-8(3)13-10/h5,9,13H,4,6,12H2,1-3H3
InChIKeyXPURYYZUBDYADJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.06
Rot. Bonds4

About ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate

ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate (PubChem CID 66518218) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate
PubChem CID66518218
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1[nH]c(C)cc1C
InChIInChI=1S/C11H18N2O2/c1-4-15-11(14)9(12)6-10-7(2)5-8(3)13-10/h5,9,13H,4,6,12H2,1-3H3
InChIKeyXPURYYZUBDYADJ-UHFFFAOYSA-N
XLogP1.06
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-amino-3-(3-bromo-4-chloro-5-methylphenyl)propanoate
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ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
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ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
CID 18604488
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
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CID 170885706

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate (CID 66518218) is ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate is CCOC(=O)C(N)Cc1[nH]c(C)cc1C.
What is the InChIKey of ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate?
The InChIKey is XPURYYZUBDYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-15-11(14)9(12)6-10-7(2)5-8(3)13-10/h5,9,13H,4,6,12H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate?
ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanoate is sourced from PubChem (CID 66518218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).