2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid

C13H18N2O5 — CID 104764761

IUPAC2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid
SMILESCOC1(CNC(=O)c2cccn2CC(=O)O)CCOC1
InChIInChI=1S/C13H18N2O5/c1-19-13(4-6-20-9-13)8-14-12(18)10-3-2-5-15(10)7-11(16)17/h2-3,5H,4,6-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyRWZMQHDOXGYLOX-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.11
Rot. Bonds6

About 2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 104764761) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid
PubChem CID104764761
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid
SMILESCOC1(CNC(=O)c2cccn2CC(=O)O)CCOC1
InChIInChI=1S/C13H18N2O5/c1-19-13(4-6-20-9-13)8-14-12(18)10-3-2-5-15(10)7-11(16)17/h2-3,5H,4,6-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyRWZMQHDOXGYLOX-UHFFFAOYSA-N
XLogP0.11
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[Methyl-(1H-pyrrole-2-carbonyl)-amino]-acetic acid
CID 10583571
[Methyl-(1H-pyrrole-2-carbonyl)-amino]-acetic acid methyl ester
CID 10703029
1-Methyl-N-[(4-methyloxan-4-YL)methyl]-1H-pyrrole-2-carboxamide
CID 110875699
4-[2-(Benzylcarbamoyl)pyrrol-1-yl]butyl acetate
CID 177375503
N-(Pyrrole-2-carboxyl)glycine
CID 194149
methyl (2R)-3-methyl-2-[[(2S,4S)-1-(1-methylpyrrole-2-carbonyl)-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carbonyl]amino]butanoate
CID 7049400
methyl (2R)-3-methyl-2-[[(2S,3S)-1-(1-methylpyrrole-2-carbonyl)-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carbonyl]amino]butanoate
CID 9419161
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 28961371
4-(Methoxymethyl)-N-methyl-1-(1-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxamide
CID 110203480
(E)-3-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxooxolan-3-yl]prop-2-enamide
CID 172462505
3-(1-Methyl-1h-pyrrole-2-carboxamido)propanoic acid
CID 10535867
3-[(1-Ethylpyrrole-2-carbonyl)amino]propanoic acid
CID 10679951

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid (CID 104764761) is 2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid is COC1(CNC(=O)c2cccn2CC(=O)O)CCOC1.
What is the InChIKey of 2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is RWZMQHDOXGYLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-19-13(4-6-20-9-13)8-14-12(18)10-3-2-5-15(10)7-11(16)17/h2-3,5H,4,6-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 104764761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).