2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid

C14H20N2O4 — CID 79325519

IUPAC2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCN(CC1CCCO1)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-2-15(9-11-5-4-8-20-11)14(19)12-6-3-7-16(12)10-13(17)18/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,17,18)
InChIKeyOQJCMLSXBDHDRL-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.21
Rot. Bonds6

About 2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79325519) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79325519
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCN(CC1CCCO1)C(=O)c1cccn1CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-2-15(9-11-5-4-8-20-11)14(19)12-6-3-7-16(12)10-13(17)18/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,17,18)
InChIKeyOQJCMLSXBDHDRL-UHFFFAOYSA-N
XLogP1.21
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide
CID 77078809
2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324864
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509
7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63117988
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349
N-ethyl-4-(4-methylpiperazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95130462
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119182463
N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
CID 125169183

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79325519) is 2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid is CCN(CC1CCCO1)C(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is OQJCMLSXBDHDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-15(9-11-5-4-8-20-11)14(19)12-6-3-7-16(12)10-13(17)18/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,17,18).
What are the key properties of 2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79325519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).