2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid

C13H16N2O4 — CID 104901157

IUPAC2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C13H16N2O4/c16-12(17)8-19-10-5-3-9(4-6-10)15-13(18)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyBVOTVRZHPPOZPX-LLVKDONJSA-N
MW264.28 g/mol
LogP0.84
Rot. Bonds5

About 2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid

2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid (PubChem CID 104901157) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
PubChem CID104901157
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C13H16N2O4/c16-12(17)8-19-10-5-3-9(4-6-10)15-13(18)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyBVOTVRZHPPOZPX-LLVKDONJSA-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

2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104913965
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide
CID 64564189
methyl 4-[4-(pyrrolidine-2-carbonylamino)phenoxy]butanoate
CID 119323990
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
N-[4-(cyanomethoxy)phenyl]azepane-2-carboxamide
CID 64564416
(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119698605
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid (CID 104901157) is 2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)[C@H]2CCCN2)cc1.
What is the InChIKey of 2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid?
The InChIKey is BVOTVRZHPPOZPX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(17)8-19-10-5-3-9(4-6-10)15-13(18)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2,(H,15,18)(H,16,17)/t11-/m1/s1.
What are the key properties of 2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid?
2-[4-[[(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-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 104901157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).