2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid

C15H19NO4 — CID 62695176

IUPAC2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid
SMILESCc1ccc(OCC(=O)NC(C(=O)O)C2CC2)cc1C
InChIInChI=1S/C15H19NO4/c1-9-3-6-12(7-10(9)2)20-8-13(17)16-14(15(18)19)11-4-5-11/h3,6-7,11,14H,4-5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyTXWJYCMGUCQNMK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.66
Rot. Bonds6

About 2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid (PubChem CID 62695176) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid
PubChem CID62695176
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid
SMILESCc1ccc(OCC(=O)NC(C(=O)O)C2CC2)cc1C
InChIInChI=1S/C15H19NO4/c1-9-3-6-12(7-10(9)2)20-8-13(17)16-14(15(18)19)11-4-5-11/h3,6-7,11,14H,4-5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyTXWJYCMGUCQNMK-UHFFFAOYSA-N
XLogP1.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid
CID 119213473
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoate
CID 43405748
2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid
CID 120521115
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
CID 120507366
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
CID 119213176
2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid
CID 119213147
(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 8750759
2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
CID 62697830
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304
2-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propanoylamino]acetic acid
CID 62695722

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid (CID 62695176) is 2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid is Cc1ccc(OCC(=O)NC(C(=O)O)C2CC2)cc1C.
What is the InChIKey of 2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid?
The InChIKey is TXWJYCMGUCQNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-3-6-12(7-10(9)2)20-8-13(17)16-14(15(18)19)11-4-5-11/h3,6-7,11,14H,4-5,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 62695176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).