3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid

C11H21N3O3 — CID 83018960

IUPAC3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
SMILESCN(C)NC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-13(2)12-11(17)14-7-5-9(6-8-14)3-4-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyTUMFTDBJEWHUAK-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.75
Rot. Bonds4

About 3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid

3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 83018960) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID83018960
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
SMILESCN(C)NC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-13(2)12-11(17)14-7-5-9(6-8-14)3-4-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyTUMFTDBJEWHUAK-UHFFFAOYSA-N
XLogP0.75
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium
CID 163537220
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698
3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62210820
3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216069
3-[1-(1-methoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216369
3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62215903
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 114943570
3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid
CID 113465876
3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62210649
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62217609
4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022214

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid (CID 83018960) is 3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid is CN(C)NC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is TUMFTDBJEWHUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-13(2)12-11(17)14-7-5-9(6-8-14)3-4-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 83018960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).