2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid

C14H18N2O3 — CID 61366052

IUPAC2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CC2CCCN2)cc1
InChIInChI=1S/C14H18N2O3/c17-13(9-12-2-1-7-15-12)16-11-5-3-10(4-6-11)8-14(18)19/h3-6,12,15H,1-2,7-9H2,(H,16,17)(H,18,19)
InChIKeyJWIYRZQZWAEYCY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.39
Rot. Bonds5

About 2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid

2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid (PubChem CID 61366052) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
PubChem CID61366052
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CC2CCCN2)cc1
InChIInChI=1S/C14H18N2O3/c17-13(9-12-2-1-7-15-12)16-11-5-3-10(4-6-11)8-14(18)19/h3-6,12,15H,1-2,7-9H2,(H,16,17)(H,18,19)
InChIKeyJWIYRZQZWAEYCY-UHFFFAOYSA-N
XLogP1.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119717935
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990
2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 119808865
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145
2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701241

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid (CID 61366052) is 2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)CC2CCCN2)cc1.
What is the InChIKey of 2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid?
The InChIKey is JWIYRZQZWAEYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(9-12-2-1-7-15-12)16-11-5-3-10(4-6-11)8-14(18)19/h3-6,12,15H,1-2,7-9H2,(H,16,17)(H,18,19).
What are the key properties of 2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid?
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid is sourced from PubChem (CID 61366052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).