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

C15H20N2O3 — CID 61370169

IUPAC2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCCC1CC(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(12-6-3-2-4-7-12)16-15(20)17-9-5-8-13(17)10-14(18)19/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyIPFUJYGEINBIQL-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds4

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

2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61370169) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
PubChem CID61370169
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCCC1CC(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(12-6-3-2-4-7-12)16-15(20)17-9-5-8-13(17)10-14(18)19/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyIPFUJYGEINBIQL-UHFFFAOYSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61371555
(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 95134922
3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071187
2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62118143
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 80549892
ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 168891072
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95278566
2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61478764
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid (CID 61370169) is 2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid is CC(NC(=O)N1CCCC1CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is IPFUJYGEINBIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(12-6-3-2-4-7-12)16-15(20)17-9-5-8-13(17)10-14(18)19/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).