2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid

C19H22N2O4 — CID 120540542

IUPAC2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid
SMILESCC(C)Oc1ccc(C(=O)N(CCc2ccccc2)CC(=O)O)cn1
InChIInChI=1S/C19H22N2O4/c1-14(2)25-17-9-8-16(12-20-17)19(24)21(13-18(22)23)11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyPSALBFLHRHJVDM-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.64
Rot. Bonds8

About 2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid

2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid (PubChem CID 120540542) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid
PubChem CID120540542
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid
SMILESCC(C)Oc1ccc(C(=O)N(CCc2ccccc2)CC(=O)O)cn1
InChIInChI=1S/C19H22N2O4/c1-14(2)25-17-9-8-16(12-20-17)19(24)21(13-18(22)23)11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyPSALBFLHRHJVDM-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347170
N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide
CID 86985471
2-[2-phenylethyl-(4-propan-2-ylsulfonylbenzoyl)amino]acetic acid
CID 119347223
N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78872697
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
2-[2-phenylethyl-[4-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
CID 119347559
2-[[4-(acetamidomethyl)benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347576
3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 119252399
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347215
2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid
CID 119200444
N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 113234599
2-[[6-[5-[bis(carboxymethyl)carbamoyl]-2-pyridinyl]pyridine-3-carbonyl]-(carboxymethyl)amino]acetic acid
CID 101054460

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid (CID 120540542) is 2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid is CC(C)Oc1ccc(C(=O)N(CCc2ccccc2)CC(=O)O)cn1.
What is the InChIKey of 2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid?
The InChIKey is PSALBFLHRHJVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(2)25-17-9-8-16(12-20-17)19(24)21(13-18(22)23)11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid?
2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid has a molecular weight of 342.40 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 120540542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).