2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid

C16H23NO4 — CID 43239975

IUPAC2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid
SMILESCCc1ccc(OCC(=O)NC(C(=O)O)C(C)CC)cc1
InChIInChI=1S/C16H23NO4/c1-4-11(3)15(16(19)20)17-14(18)10-21-13-8-6-12(5-2)7-9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyIHDOBJKLNWMKSE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.24
Rot. Bonds8

About 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid

2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid (PubChem CID 43239975) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid
PubChem CID43239975
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid
SMILESCCc1ccc(OCC(=O)NC(C(=O)O)C(C)CC)cc1
InChIInChI=1S/C16H23NO4/c1-4-11(3)15(16(19)20)17-14(18)10-21-13-8-6-12(5-2)7-9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyIHDOBJKLNWMKSE-UHFFFAOYSA-N
XLogP2.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172923
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid
CID 9157214
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
CID 9157303
2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94843764
(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 107821449
(2S,3R)-3-methyl-2-[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]pentanoic acid
CID 91639558
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid
CID 119211861
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
[1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 4801112

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid (CID 43239975) is 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid is CCc1ccc(OCC(=O)NC(C(=O)O)C(C)CC)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid?
The InChIKey is IHDOBJKLNWMKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-11(3)15(16(19)20)17-14(18)10-21-13-8-6-12(5-2)7-9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid?
2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 43239975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).