methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate

C11H16N2O4 — CID 43638993

IUPACmethyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCCn1cccc1C(=O)NC(CO)C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-3-13-6-4-5-9(13)10(15)12-8(7-14)11(16)17-2/h4-6,8,14H,3,7H2,1-2H3,(H,12,15)
InChIKeyBBMLQKHQFHUEMD-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.23
Rot. Bonds5

About methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate

methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate (PubChem CID 43638993) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
PubChem CID43638993
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCCn1cccc1C(=O)NC(CO)C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-3-13-6-4-5-9(13)10(15)12-8(7-14)11(16)17-2/h4-6,8,14H,3,7H2,1-2H3,(H,12,15)
InChIKeyBBMLQKHQFHUEMD-UHFFFAOYSA-N
XLogP-0.23
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
CID 114211275
3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608626
(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid
CID 61143350
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 9277876
(2S,3R)-2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964424
3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676590
N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 104940018
methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
CID 43623505
methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 43638981
methyl 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43409034
methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate
CID 43407026

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate (CID 43638993) is methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate is CCn1cccc1C(=O)NC(CO)C(=O)OC.
What is the InChIKey of methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate?
The InChIKey is BBMLQKHQFHUEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-13-6-4-5-9(13)10(15)12-8(7-14)11(16)17-2/h4-6,8,14H,3,7H2,1-2H3,(H,12,15).
What are the key properties of methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate?
methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate has a molecular weight of 240.26 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 43638993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).