2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid

C14H18N2O3 — CID 61372139

IUPAC2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)CNc1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(10-15-11-5-2-1-3-6-11)16-8-4-7-12(16)9-14(18)19/h1-3,5-6,12,15H,4,7-10H2,(H,18,19)
InChIKeyCOWLRESSQCWOPT-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds5

About 2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid

2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61372139) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
PubChem CID61372139
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)CNc1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(10-15-11-5-2-1-3-6-11)16-8-4-7-12(16)9-14(18)19/h1-3,5-6,12,15H,4,7-10H2,(H,18,19)
InChIKeyCOWLRESSQCWOPT-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
2-[1-(2-phenylsulfanylacetyl)pyrrolidin-2-yl]acetic acid
CID 61371865
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
2-[1-(3-phenylsulfanylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 61371271
(2S)-1-(2-anilinoacetyl)azetidine-2-carboxylic acid
CID 22958472
2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid
CID 61371275
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea
CID 66260760
2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid
CID 61370466
2-[(2S)-1-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperidin-2-yl]acetic acid
CID 125175276
2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 119687297

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid (CID 61372139) is 2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)CNc1ccccc1.
What is the InChIKey of 2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is COWLRESSQCWOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(10-15-11-5-2-1-3-6-11)16-8-4-7-12(16)9-14(18)19/h1-3,5-6,12,15H,4,7-10H2,(H,18,19).
What are the key properties of 2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61372139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).