2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid

C14H19N3O4 — CID 107341011

IUPAC2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid
SMILESCCNC1COCC1C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C14H19N3O4/c1-2-15-12-8-21-7-11(12)14(20)17-10-4-3-9(16-6-10)5-13(18)19/h3-4,6,11-12,15H,2,5,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyGEUZVGHFEYWJMG-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.27
Rot. Bonds6

About 2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid

2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid (PubChem CID 107341011) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid
PubChem CID107341011
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid
SMILESCCNC1COCC1C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C14H19N3O4/c1-2-15-12-8-21-7-11(12)14(20)17-10-4-3-9(16-6-10)5-13(18)19/h3-4,6,11-12,15H,2,5,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyGEUZVGHFEYWJMG-UHFFFAOYSA-N
XLogP0.27
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid (CID 107341011) is 2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid is CCNC1COCC1C(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid?
The InChIKey is GEUZVGHFEYWJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-15-12-8-21-7-11(12)14(20)17-10-4-3-9(16-6-10)5-13(18)19/h3-4,6,11-12,15H,2,5,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid?
2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107341011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).