3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid

C15H18N2O4 — CID 76978832

IUPAC3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
SMILESCC(NC(=O)c1ccc(C=CC(=O)O)cn1)C1CCCO1
InChIInChI=1S/C15H18N2O4/c1-10(13-3-2-8-21-13)17-15(20)12-6-4-11(9-16-12)5-7-14(18)19/h4-7,9-10,13H,2-3,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyCXTZBRGNQBMINK-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.48
Rot. Bonds5

About 3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid

3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid (PubChem CID 76978832) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
PubChem CID76978832
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
SMILESCC(NC(=O)c1ccc(C=CC(=O)O)cn1)C1CCCO1
InChIInChI=1S/C15H18N2O4/c1-10(13-3-2-8-21-13)17-15(20)12-6-4-11(9-16-12)5-7-14(18)19/h4-7,9-10,13H,2-3,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyCXTZBRGNQBMINK-UHFFFAOYSA-N
XLogP1.48
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316128
5-hydrazinyl-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 104642643
3-[6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76978642
3-[4-[1-(oxolan-2-yl)ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79683844
N-[1-(oxolan-2-yl)ethyl]quinoxaline-2-carboxamide
CID 47167763
3-[6-(methylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76978782
(E)-3-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide
CID 115342870
(E)-4-oxo-4-[1-(oxolan-2-yl)ethylamino]but-2-enoic acid
CID 43533859
6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 63971995
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid (CID 76978832) is 3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid is CC(NC(=O)c1ccc(C=CC(=O)O)cn1)C1CCCO1.
What is the InChIKey of 3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid?
The InChIKey is CXTZBRGNQBMINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(13-3-2-8-21-13)17-15(20)12-6-4-11(9-16-12)5-7-14(18)19/h4-7,9-10,13H,2-3,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid?
3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 76978832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).