3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid

C16H30N2O3 — CID 63843411

IUPAC3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESCCC(CC)C(C)NC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-4-13(5-2)12(3)17-16(21)18-11-7-6-8-14(18)9-10-15(19)20/h12-14H,4-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyQSMFUGLCQYMIFM-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.24
Rot. Bonds7

About 3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid

3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid (PubChem CID 63843411) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid
PubChem CID63843411
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESCCC(CC)C(C)NC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-4-13(5-2)12(3)17-16(21)18-11-7-6-8-14(18)9-10-15(19)20/h12-14H,4-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyQSMFUGLCQYMIFM-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62211691
3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 83055756
3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751
3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62218106
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 83055439
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid
CID 61191277
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 106346761
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 114943422

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid (CID 63843411) is 3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid is CCC(CC)C(C)NC(=O)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid?
The InChIKey is QSMFUGLCQYMIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-13(5-2)12(3)17-16(21)18-11-7-6-8-14(18)9-10-15(19)20/h12-14H,4-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid?
3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 63843411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).