3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid

C15H22N2O4 — CID 82326580

IUPAC3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid
SMILESCC(O)CN(CC(=O)Nc1ccccc1)CC(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-11(15(20)21)8-17(9-12(2)18)10-14(19)16-13-6-4-3-5-7-13/h3-7,11-12,18H,8-10H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyYZGBRRSVSFXICF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.03
Rot. Bonds8

About 3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid

3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid (PubChem CID 82326580) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid
PubChem CID82326580
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid
SMILESCC(O)CN(CC(=O)Nc1ccccc1)CC(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-11(15(20)21)8-17(9-12(2)18)10-14(19)16-13-6-4-3-5-7-13/h3-7,11-12,18H,8-10H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyYZGBRRSVSFXICF-UHFFFAOYSA-N
XLogP1.03
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841
2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid
CID 122120087
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
3-[[2-(4-cyanoanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852803
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
3-[[2-(2-chloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852075
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
3-[(2-chlorophenyl)methyl-(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82327645
N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79203045
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827

Frequently Asked Questions

What is the IUPAC name of 3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid (CID 82326580) is 3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid is CC(O)CN(CC(=O)Nc1ccccc1)CC(C)C(=O)O.
What is the InChIKey of 3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid?
The InChIKey is YZGBRRSVSFXICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(15(20)21)8-17(9-12(2)18)10-14(19)16-13-6-4-3-5-7-13/h3-7,11-12,18H,8-10H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid?
3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82326580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).