2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid

C16H23NO4 — CID 119206542

IUPAC2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C16H23NO4/c1-5-17(10-15(18)19)16(20)12(4)21-14-8-6-7-13(9-14)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,19)
InChIKeyXKOPHZYXWKPWFB-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.51
Rot. Bonds7

About 2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid

2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid (PubChem CID 119206542) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid
PubChem CID119206542
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C16H23NO4/c1-5-17(10-15(18)19)16(20)12(4)21-14-8-6-7-13(9-14)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,19)
InChIKeyXKOPHZYXWKPWFB-UHFFFAOYSA-N
XLogP2.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034436
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119228819
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 111663070
2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
CID 61021604
N-butyl-N-ethyl-2-phenoxypropanamide
CID 2915016
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
(3-propan-2-ylphenyl) 2-(dimethylamino)acetate
CID 91261500
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 119653171
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid (CID 119206542) is 2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)C(C)Oc1cccc(C(C)C)c1.
What is the InChIKey of 2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid?
The InChIKey is XKOPHZYXWKPWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-17(10-15(18)19)16(20)12(4)21-14-8-6-7-13(9-14)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,19).
What are the key properties of 2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid?
2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 119206542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).