2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid

C13H16N2O4 — CID 120519723

IUPAC2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid
SMILESC=CCOc1cccnc1C(=O)N(CC)CC(=O)O
InChIInChI=1S/C13H16N2O4/c1-3-8-19-10-6-5-7-14-12(10)13(18)15(4-2)9-11(16)17/h3,5-7H,1,4,8-9H2,2H3,(H,16,17)
InChIKeyDHAYXTOMYWOIQZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.19
Rot. Bonds7

About 2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid

2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid (PubChem CID 120519723) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid
PubChem CID120519723
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid
SMILESC=CCOc1cccnc1C(=O)N(CC)CC(=O)O
InChIInChI=1S/C13H16N2O4/c1-3-8-19-10-6-5-7-14-12(10)13(18)15(4-2)9-11(16)17/h3,5-7H,1,4,8-9H2,2H3,(H,16,17)
InChIKeyDHAYXTOMYWOIQZ-UHFFFAOYSA-N
XLogP1.19
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[[(3-prop-2-enoxypyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 120528498
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
3-[ethyl-(2-prop-2-enoxybenzoyl)amino]-2-methylpropanoic acid
CID 62825771
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 54986422
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120519705
N,N-diethyl-2-(2-prop-2-enoxyanilino)acetamide
CID 54824487
3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
CID 107517815
N-[(4-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340438
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-prop-2-enoxypyridine-2-carboxamide
CID 86782237

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid (CID 120519723) is 2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid is C=CCOc1cccnc1C(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid?
The InChIKey is DHAYXTOMYWOIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-8-19-10-6-5-7-14-12(10)13(18)15(4-2)9-11(16)17/h3,5-7H,1,4,8-9H2,2H3,(H,16,17).
What are the key properties of 2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid?
2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-prop-2-enoxypyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 120519723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).