3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid

C14H26N2O4 — CID 62210649

IUPAC3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESCCOCC(C)NC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-20-10-11(2)15-14(19)16-8-6-12(7-9-16)4-5-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOECVKZXSQBEYBC-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds7

About 3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid

3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 62210649) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID62210649
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESCCOCC(C)NC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-20-10-11(2)15-14(19)16-8-6-12(7-9-16)4-5-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOECVKZXSQBEYBC-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-methoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216369
3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62210820
1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid
CID 114278573
3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62215903
1-(1-ethoxypropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63127386
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium
CID 163537220
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 114943570
3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
CID 83018960
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
1-(1-ethoxypropan-2-ylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383765
3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62210113

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid (CID 62210649) is 3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid is CCOCC(C)NC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is OECVKZXSQBEYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-20-10-11(2)15-14(19)16-8-6-12(7-9-16)4-5-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62210649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).