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

C13H22N2O3 — CID 114101416

IUPAC2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
SMILESCC1(CNC(=O)N2CCCCC2CC(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-13(5-6-13)9-14-12(18)15-7-3-2-4-10(15)8-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyOTWQRLZQJIQMQG-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.83
Rot. Bonds4

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

2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid (PubChem CID 114101416) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
PubChem CID114101416
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
SMILESCC1(CNC(=O)N2CCCCC2CC(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-13(5-6-13)9-14-12(18)15-7-3-2-4-10(15)8-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyOTWQRLZQJIQMQG-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792
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-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid
CID 66420191
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid
CID 115356753
1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107164868
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid (CID 114101416) is 2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid is CC1(CNC(=O)N2CCCCC2CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is OTWQRLZQJIQMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(5-6-13)9-14-12(18)15-7-3-2-4-10(15)8-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 114101416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).