2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid

C15H22N2O4 — CID 61196959

IUPAC2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid
SMILESCc1ccc(CN(C)C(=O)N2CCCCC2CC(=O)O)o1
InChIInChI=1S/C15H22N2O4/c1-11-6-7-13(21-11)10-16(2)15(20)17-8-4-3-5-12(17)9-14(18)19/h6-7,12H,3-5,8-10H2,1-2H3,(H,18,19)
InChIKeyMBEAHKFUHOYOQA-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.47
Rot. Bonds4

About 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid

2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61196959) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61196959
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid
SMILESCc1ccc(CN(C)C(=O)N2CCCCC2CC(=O)O)o1
InChIInChI=1S/C15H22N2O4/c1-11-6-7-13(21-11)10-16(2)15(20)17-8-4-3-5-12(17)9-14(18)19/h6-7,12H,3-5,8-10H2,1-2H3,(H,18,19)
InChIKeyMBEAHKFUHOYOQA-UHFFFAOYSA-N
XLogP2.47
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197519
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618420
2-[1-[(4-bromophenyl)methyl-methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61415894
2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435031
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61197717
2-[1-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55012085
2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371561
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61199226
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 100844132

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid (CID 61196959) is 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid is Cc1ccc(CN(C)C(=O)N2CCCCC2CC(=O)O)o1.
What is the InChIKey of 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is MBEAHKFUHOYOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-6-7-13(21-11)10-16(2)15(20)17-8-4-3-5-12(17)9-14(18)19/h6-7,12H,3-5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61196959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).