2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid

C20H21NO5 — CID 119213473

IUPAC2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C20H21NO5/c22-18(21-19(20(23)24)15-6-7-15)13-26-17-10-8-16(9-11-17)25-12-14-4-2-1-3-5-14/h1-5,8-11,15,19H,6-7,12-13H2,(H,21,22)(H,23,24)
InChIKeyCKDVGFKXTKBYSM-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.62
Rot. Bonds9

About 2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid (PubChem CID 119213473) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid
PubChem CID119213473
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C20H21NO5/c22-18(21-19(20(23)24)15-6-7-15)13-26-17-10-8-16(9-11-17)25-12-14-4-2-1-3-5-14/h1-5,8-11,15,19H,6-7,12-13H2,(H,21,22)(H,23,24)
InChIKeyCKDVGFKXTKBYSM-UHFFFAOYSA-N
XLogP2.62
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid
CID 119213147
2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid
CID 62695176
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate
CID 9277684
2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
CID 119213176
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
CID 62697830
2-[4-(4-bromophenoxy)butanoylamino]-2-cyclopropylacetic acid
CID 62697266
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 45286233
N-(2-oxooxolan-3-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 2998651
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6601801

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid (CID 119213473) is 2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid is O=C(COc1ccc(OCc2ccccc2)cc1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid?
The InChIKey is CKDVGFKXTKBYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c22-18(21-19(20(23)24)15-6-7-15)13-26-17-10-8-16(9-11-17)25-12-14-4-2-1-3-5-14/h1-5,8-11,15,19H,6-7,12-13H2,(H,21,22)(H,23,24).
What are the key properties of 2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid has a molecular weight of 355.39 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 119213473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).