2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

C16H22N2O3 — CID 106900464

IUPAC2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCCc1ccc(CNC(=O)N2CCCC2CC(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-12-5-7-13(8-6-12)11-17-16(21)18-9-3-4-14(18)10-15(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyXOXWYLYRDJUGCE-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.40
Rot. Bonds5

About 2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 106900464) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID106900464
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCCc1ccc(CNC(=O)N2CCCC2CC(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-12-5-7-13(8-6-12)11-17-16(21)18-9-3-4-14(18)10-15(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyXOXWYLYRDJUGCE-UHFFFAOYSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830
2-[1-[(2,4-difluorophenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62227398
4-[[[2-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019638
2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371172
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 63309541
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909640
5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81096017
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658
2-[1-[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371368

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (CID 106900464) is 2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is CCc1ccc(CNC(=O)N2CCCC2CC(=O)O)cc1.
What is the InChIKey of 2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is XOXWYLYRDJUGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-5-7-13(8-6-12)11-17-16(21)18-9-3-4-14(18)10-15(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 106900464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).