2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid

C19H22N2O4 — CID 120529904

IUPAC2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C19H22N2O4/c1-3-14(2)21(12-18(22)23)19(24)16-9-10-20-17(11-16)25-13-15-7-5-4-6-8-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyFKAYYJODRVCEOF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.99
Rot. Bonds8

About 2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid

2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid (PubChem CID 120529904) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid
PubChem CID120529904
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C19H22N2O4/c1-3-14(2)21(12-18(22)23)19(24)16-9-10-20-17(11-16)25-13-15-7-5-4-6-8-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyFKAYYJODRVCEOF-UHFFFAOYSA-N
XLogP2.99
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid (CID 120529904) is 2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid?
The InChIKey is FKAYYJODRVCEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-14(2)21(12-18(22)23)19(24)16-9-10-20-17(11-16)25-13-15-7-5-4-6-8-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid?
2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid has a molecular weight of 342.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 120529904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).