2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid

C14H20N2O4 — CID 43468312

IUPAC2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCOc1cccc(NC(=O)CNC(C(=O)O)C(C)C)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)13(14(18)19)15-8-12(17)16-10-5-4-6-11(7-10)20-3/h4-7,9,13,15H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAHXMZDCYRPDLPS-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.33
Rot. Bonds7

About 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid

2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid (PubChem CID 43468312) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
PubChem CID43468312
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCOc1cccc(NC(=O)CNC(C(=O)O)C(C)C)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)13(14(18)19)15-8-12(17)16-10-5-4-6-11(7-10)20-3/h4-7,9,13,15H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAHXMZDCYRPDLPS-UHFFFAOYSA-N
XLogP1.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43179380
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43499874
N-(3-methoxyphenyl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463325
N-(3-methoxyphenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905462
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468596
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 24706009
(2S,3S)-2-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099863
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
N-(3-methoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396909

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid (CID 43468312) is 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid is COc1cccc(NC(=O)CNC(C(=O)O)C(C)C)c1.
What is the InChIKey of 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid?
The InChIKey is AHXMZDCYRPDLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)13(14(18)19)15-8-12(17)16-10-5-4-6-11(7-10)20-3/h4-7,9,13,15H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid?
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 43468312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).