(2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid

C15H21NO4 — CID 119369486

IUPAC(2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid
SMILESCOc1ccc(C(C)C(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-9(2)13(15(18)19)16-14(17)10(3)11-5-7-12(20-4)8-6-11/h5-10,13H,1-4H3,(H,16,17)(H,18,19)/t10?,13-/m1/s1
InChIKeyLOGABLBFJSQYLM-JLOHTSLTSA-N
MW279.34 g/mol
LogP2.02
Rot. Bonds6

About (2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid

(2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid (PubChem CID 119369486) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid
PubChem CID119369486
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid
SMILESCOc1ccc(C(C)C(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-9(2)13(15(18)19)16-14(17)10(3)11-5-7-12(20-4)8-6-11/h5-10,13H,1-4H3,(H,16,17)(H,18,19)/t10?,13-/m1/s1
InChIKeyLOGABLBFJSQYLM-JLOHTSLTSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
(2R)-2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylbutanoic acid
CID 119368545
(2S)-2-[3-(4-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136509
(2S)-2-[2-(4-methoxyphenyl)propanoylamino]hexanoic acid
CID 120614449
(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 118730013
2-[2-(4-methoxyphenyl)butanoylamino]-3-methylpentanoic acid
CID 120686644
(2S)-2-(4-methoxyanilino)-3-methylbutanoic acid
CID 54496950
2-(4-methoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116848056
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 4875063
N-[bis(2-methoxyphenyl)methyl]-2-(4-methoxyphenyl)propanamide
CID 175079399
3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
CID 43353625
(2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
CID 104964890

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid (CID 119369486) is (2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid is COc1ccc(C(C)C(=O)N[C@@H](C(=O)O)C(C)C)cc1.
What is the InChIKey of (2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid?
The InChIKey is LOGABLBFJSQYLM-JLOHTSLTSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9(2)13(15(18)19)16-14(17)10(3)11-5-7-12(20-4)8-6-11/h5-10,13H,1-4H3,(H,16,17)(H,18,19)/t10?,13-/m1/s1.
What are the key properties of (2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid?
(2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 119369486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).