2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid

C13H16N2O4 — CID 63772208

IUPAC2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C13H16N2O4/c16-12(17)9-19-11-5-3-10(4-6-11)14-13(18)15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,18)(H,16,17)
InChIKeyXGGBKEZLAULKCF-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.78
Rot. Bonds4

About 2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid

2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid (PubChem CID 63772208) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
PubChem CID63772208
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C13H16N2O4/c16-12(17)9-19-11-5-3-10(4-6-11)14-13(18)15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,18)(H,16,17)
InChIKeyXGGBKEZLAULKCF-UHFFFAOYSA-N
XLogP1.78
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
[4-(piperidine-1-carbonylamino)phenyl] hypofluorite
CID 71166566
N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
CID 55820039
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47162409
1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078438
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
2-[3-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 119182068
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882
2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 120537229

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid (CID 63772208) is 2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid?
The InChIKey is XGGBKEZLAULKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(17)9-19-11-5-3-10(4-6-11)14-13(18)15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,18)(H,16,17).
What are the key properties of 2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid?
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 63772208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).