2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid

C15H27N3O3 — CID 61203983

IUPAC2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid
SMILESCCN1CCC(CNC(=O)N2CCCCC2CC(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-2-17-8-6-12(11-17)10-16-15(21)18-7-4-3-5-13(18)9-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyRTZWOAQAMLYWLM-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds5

About 2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid

2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61203983) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid
PubChem CID61203983
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid
SMILESCCN1CCC(CNC(=O)N2CCCCC2CC(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-2-17-8-6-12(11-17)10-16-15(21)18-7-4-3-5-13(18)9-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyRTZWOAQAMLYWLM-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071372
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60862754
2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114106684

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid (CID 61203983) is 2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid is CCN1CCC(CNC(=O)N2CCCCC2CC(=O)O)C1.
What is the InChIKey of 2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is RTZWOAQAMLYWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-17-8-6-12(11-17)10-16-15(21)18-7-4-3-5-13(18)9-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61203983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).