2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid

C17H22N2O5 — CID 119224317

IUPAC2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)COC2CCCC2)cc1
InChIInChI=1S/C17H22N2O5/c20-15(18-10-17(22)23)9-12-5-7-13(8-6-12)19-16(21)11-24-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,18,20)(H,19,21)(H,22,23)
InChIKeyDYNIZWREEGKNFQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.33
Rot. Bonds8

About 2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224317) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224317
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)COC2CCCC2)cc1
InChIInChI=1S/C17H22N2O5/c20-15(18-10-17(22)23)9-12-5-7-13(8-6-12)19-16(21)11-24-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,18,20)(H,19,21)(H,22,23)
InChIKeyDYNIZWREEGKNFQ-UHFFFAOYSA-N
XLogP1.33
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224346
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
CID 154992981
2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224629
N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 51102607
2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224410
2-[[2-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224615
N-[4-(cyclopentyloxymethyl)phenyl]-2-(methylamino)acetamide
CID 119795210

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid (CID 119224317) is 2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1ccc(NC(=O)COC2CCCC2)cc1.
What is the InChIKey of 2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is DYNIZWREEGKNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-15(18-10-17(22)23)9-12-5-7-13(8-6-12)19-16(21)11-24-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).