3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid

C16H30N2O3 — CID 62212214

IUPAC3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCC(C)CN(C(=O)N1CCCCC1CCC(=O)O)C(C)C
InChIInChI=1S/C16H30N2O3/c1-12(2)11-18(13(3)4)16(21)17-10-6-5-7-14(17)8-9-15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)
InChIKeyNBQDMYKIYDAREH-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.19
Rot. Bonds6

About 3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid

3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 62212214) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid
PubChem CID62212214
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCC(C)CN(C(=O)N1CCCCC1CCC(=O)O)C(C)C
InChIInChI=1S/C16H30N2O3/c1-12(2)11-18(13(3)4)16(21)17-10-6-5-7-14(17)8-9-15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)
InChIKeyNBQDMYKIYDAREH-UHFFFAOYSA-N
XLogP3.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62218106
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
3-[1-[1-cyanopropan-2-yl(methyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 63228578
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 61409902
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055352
2-[1-[cyclopropylmethyl(propan-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55000168
3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62211691
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065796
3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751
3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63843411
3-amino-4-[2-(2-carboxyethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 64895769

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid (CID 62212214) is 3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid is CC(C)CN(C(=O)N1CCCCC1CCC(=O)O)C(C)C.
What is the InChIKey of 3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is NBQDMYKIYDAREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)11-18(13(3)4)16(21)17-10-6-5-7-14(17)8-9-15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62212214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).