2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid

C16H22N2O3 — CID 61371172

IUPAC2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCCCc1ccc(NC(=O)N2CCCC2CC(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-4-12-6-8-13(9-7-12)17-16(21)18-10-3-5-14(18)11-15(19)20/h6-9,14H,2-5,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeySGIJVXRIWUTKMA-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.11
Rot. Bonds5

About 2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371172) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371172
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCCCc1ccc(NC(=O)N2CCCC2CC(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-4-12-6-8-13(9-7-12)17-16(21)18-10-3-5-14(18)11-15(19)20/h6-9,14H,2-5,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeySGIJVXRIWUTKMA-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[4-(cyanomethyl)phenyl]carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62302370
3-[4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenyl]propanoic acid
CID 115340776
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114840396
2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369992
2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid
CID 61370466
2-[1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61370104
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65063084

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid (CID 61371172) is 2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid is CCCc1ccc(NC(=O)N2CCCC2CC(=O)O)cc1.
What is the InChIKey of 2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is SGIJVXRIWUTKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-4-12-6-8-13(9-7-12)17-16(21)18-10-3-5-14(18)11-15(19)20/h6-9,14H,2-5,10-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).