4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid

C12H16N2O4 — CID 112532113

IUPAC4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid
SMILESCc1cc(CC(=O)N2CCOC(C(=O)O)C2)c[nH]1
InChIInChI=1S/C12H16N2O4/c1-8-4-9(6-13-8)5-11(15)14-2-3-18-10(7-14)12(16)17/h4,6,10,13H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyMRXXABLSORAHGM-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.18
Rot. Bonds3

About 4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid

4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid (PubChem CID 112532113) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid
PubChem CID112532113
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid
SMILESCc1cc(CC(=O)N2CCOC(C(=O)O)C2)c[nH]1
InChIInChI=1S/C12H16N2O4/c1-8-4-9(6-13-8)5-11(15)14-2-3-18-10(7-14)12(16)17/h4,6,10,13H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyMRXXABLSORAHGM-UHFFFAOYSA-N
XLogP0.18
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
1-(3-aminopyrrolidin-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone
CID 112530754
(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124697408
(2S)-4-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]morpholine-2-carboxylic acid
CID 125120631
(2R)-4-[2-(3,4-dihydro-2H-chromen-6-yl)acetyl]morpholine-2-carboxylic acid
CID 124963505
(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124684080
(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
CID 124517322
4-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 119238965
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 110268197
(2R)-N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 95839396

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid (CID 112532113) is 4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid is Cc1cc(CC(=O)N2CCOC(C(=O)O)C2)c[nH]1.
What is the InChIKey of 4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid?
The InChIKey is MRXXABLSORAHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-4-9(6-13-8)5-11(15)14-2-3-18-10(7-14)12(16)17/h4,6,10,13H,2-3,5,7H2,1H3,(H,16,17).
What are the key properties of 4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid?
4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 112532113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).