(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid

C15H21NO5 — CID 107563000

IUPAC(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)COc1ccccc1OCC)C(=O)O
InChIInChI=1S/C15H21NO5/c1-3-7-11(15(18)19)16-14(17)10-21-13-9-6-5-8-12(13)20-4-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyFLCOHNMAWOUVGC-LLVKDONJSA-N
MW295.34 g/mol
LogP1.83
Rot. Bonds9

About (2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid

(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid (PubChem CID 107563000) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid
PubChem CID107563000
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)COc1ccccc1OCC)C(=O)O
InChIInChI=1S/C15H21NO5/c1-3-7-11(15(18)19)16-14(17)10-21-13-9-6-5-8-12(13)20-4-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyFLCOHNMAWOUVGC-LLVKDONJSA-N
XLogP1.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid
CID 43630726
(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107822898
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 43630685
(2R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107562867
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 107564359
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
(2S)-4-hydroxy-2-[[2-(2-methylphenoxy)acetyl]amino]butanoic acid
CID 114004863
(2S)-2-[[2-(2-nitrophenoxy)acetyl]amino]hexanoic acid
CID 120614484
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461296
2-(2-ethoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050837
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid (CID 107563000) is (2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid is CCC[C@@H](NC(=O)COc1ccccc1OCC)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid?
The InChIKey is FLCOHNMAWOUVGC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-7-11(15(18)19)16-14(17)10-21-13-9-6-5-8-12(13)20-4-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid?
(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107563000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).