3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid

C15H28N2O4 — CID 114943570

IUPAC3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid
SMILESCCOC(C)(C)CNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-4-21-15(2,3)11-16-14(20)17-9-7-12(8-10-17)5-6-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDSTYINLKMZKNHL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds7

About 3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid

3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 114943570) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid
PubChem CID114943570
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid
SMILESCCOC(C)(C)CNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-4-21-15(2,3)11-16-14(20)17-9-7-12(8-10-17)5-6-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDSTYINLKMZKNHL-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 114943422
(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104985172
3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 103018528
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698
3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62210649
3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
CID 83018960
3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62215903
3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid
CID 113465876
4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021590
2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 115431112
3-[1-(1-methoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216369
6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65290004

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid (CID 114943570) is 3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid is CCOC(C)(C)CNC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is DSTYINLKMZKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-21-15(2,3)11-16-14(20)17-9-7-12(8-10-17)5-6-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 114943570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).