2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid

C13H16N2O4 — CID 104901156

IUPAC2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C13H16N2O4/c16-12(17)8-19-11-6-2-1-4-9(11)15-13(18)10-5-3-7-14-10/h1-2,4,6,10,14H,3,5,7-8H2,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyAJSJZFFRRWXSGD-SNVBAGLBSA-N
MW264.28 g/mol
LogP0.84
Rot. Bonds5

About 2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid

2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid (PubChem CID 104901156) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
PubChem CID104901156
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C13H16N2O4/c16-12(17)8-19-11-6-2-1-4-9(11)15-13(18)10-5-3-7-14-10/h1-2,4,6,10,14H,3,5,7-8H2,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyAJSJZFFRRWXSGD-SNVBAGLBSA-N
XLogP0.84
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
CID 93360502
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
N-(2-phenoxyphenyl)piperidine-2-carboxamide
CID 18071902
(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid
CID 79385111
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid (CID 104901156) is 2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)[C@H]1CCCN1.
What is the InChIKey of 2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid?
The InChIKey is AJSJZFFRRWXSGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(17)8-19-11-6-2-1-4-9(11)15-13(18)10-5-3-7-14-10/h1-2,4,6,10,14H,3,5,7-8H2,(H,15,18)(H,16,17)/t10-/m1/s1.
What are the key properties of 2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid?
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 104901156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).