2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid

C22H24N2O5 — CID 119201857

IUPAC2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C22H24N2O5/c1-2-22(21(27)28,16-7-4-3-5-8-16)24-19(25)14-29-18-10-6-9-17(13-18)23-20(26)15-11-12-15/h3-10,13,15H,2,11-12,14H2,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyNZTBWBHSDLNCFV-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.92
Rot. Bonds9

About 2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid

2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid (PubChem CID 119201857) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid
PubChem CID119201857
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C22H24N2O5/c1-2-22(21(27)28,16-7-4-3-5-8-16)24-19(25)14-29-18-10-6-9-17(13-18)23-20(26)15-11-12-15/h3-10,13,15H,2,11-12,14H2,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyNZTBWBHSDLNCFV-UHFFFAOYSA-N
XLogP2.92
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 119498857
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
N-[3-[2-[(3-methyl-2-phenylbutyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46433039
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid (CID 119201857) is 2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid is CCC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid?
The InChIKey is NZTBWBHSDLNCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-2-22(21(27)28,16-7-4-3-5-8-16)24-19(25)14-29-18-10-6-9-17(13-18)23-20(26)15-11-12-15/h3-10,13,15H,2,11-12,14H2,1H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid?
2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid has a molecular weight of 396.44 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid is sourced from PubChem (CID 119201857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).