(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid

C15H21NO5 — CID 92923984

IUPAC(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
SMILESCOc1ccccc1OCCC(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C15H21NO5/c1-10(2)14(15(18)19)16-13(17)8-9-21-12-7-5-4-6-11(12)20-3/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKeySOMBOCOFCYAFJS-CQSZACIVSA-N
MW295.33 g/mol
LogP1.69
Rot. Bonds8

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

(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid (PubChem CID 92923984) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is (2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
PubChem CID92923984
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
SMILESCOc1ccccc1OCCC(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C15H21NO5/c1-10(2)14(15(18)19)16-13(17)8-9-21-12-7-5-4-6-11(12)20-3/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKeySOMBOCOFCYAFJS-CQSZACIVSA-N
XLogP1.69
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 43353996
(2S)-2-[3-(4-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136509
(2S)-3-methyl-2-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 61137299
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 43238739
(2S)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136603
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
(2S)-2-[3-(3-carbamoylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 119359380
(2S)-2-[3-(3-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136254
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide
CID 119606391
2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 61417870
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid (CID 92923984) is (2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid is COc1ccccc1OCCC(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid?
The InChIKey is SOMBOCOFCYAFJS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(2)14(15(18)19)16-13(17)8-9-21-12-7-5-4-6-11(12)20-3/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid?
(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 92923984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).