3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

C14H20N2O4 — CID 120516584

IUPAC3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cccc(OC(C)C)n1
InChIInChI=1S/C14H20N2O4/c1-4-16(9-8-13(17)18)14(19)11-6-5-7-12(15-11)20-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyVFICAMSLLPWKQU-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.81
Rot. Bonds7

About 3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (PubChem CID 120516584) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
PubChem CID120516584
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cccc(OC(C)C)n1
InChIInChI=1S/C14H20N2O4/c1-4-16(9-8-13(17)18)14(19)11-6-5-7-12(15-11)20-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyVFICAMSLLPWKQU-UHFFFAOYSA-N
XLogP1.81
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120515163
3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 61007975
2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120520363
N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
CID 109399314
2-methyl-2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120518663
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770
3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
CID 61007107
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
(6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate
CID 129216307
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (CID 120516584) is 3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cccc(OC(C)C)n1.
What is the InChIKey of 3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is VFICAMSLLPWKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-16(9-8-13(17)18)14(19)11-6-5-7-12(15-11)20-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120516584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).