2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid

C14H19N3O3 — CID 61371555

IUPAC2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCCC1CC(=O)O)c1ccncc1
InChIInChI=1S/C14H19N3O3/c1-10(11-4-6-15-7-5-11)16-14(20)17-8-2-3-12(17)9-13(18)19/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeySZDFDFPVTQESEQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.79
Rot. Bonds4

About 2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid

2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61371555) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
PubChem CID61371555
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCCC1CC(=O)O)c1ccncc1
InChIInChI=1S/C14H19N3O3/c1-10(11-4-6-15-7-5-11)16-14(20)17-8-2-3-12(17)9-13(18)19/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeySZDFDFPVTQESEQ-UHFFFAOYSA-N
XLogP1.79
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169
(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide
CID 95134126
2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62118143
2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830
2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371561
(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
(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 111507028
(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 95134922
(3S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146161
4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 99596800
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid (CID 61371555) is 2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid is CC(NC(=O)N1CCCC1CC(=O)O)c1ccncc1.
What is the InChIKey of 2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is SZDFDFPVTQESEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(11-4-6-15-7-5-11)16-14(20)17-8-2-3-12(17)9-13(18)19/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).