3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid

C12H21N3O4 — CID 43170631

IUPAC3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCN(C)C(=O)N1CCC(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-14(2)12(19)15-7-4-9(5-8-15)11(18)13-6-3-10(16)17/h9H,3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyWRCSWOBHEMMOLM-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.03
Rot. Bonds4

About 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid

3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid (PubChem CID 43170631) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid
PubChem CID43170631
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCN(C)C(=O)N1CCC(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-14(2)12(19)15-7-4-9(5-8-15)11(18)13-6-3-10(16)17/h9H,3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyWRCSWOBHEMMOLM-UHFFFAOYSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid (CID 43170631) is 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid is CN(C)C(=O)N1CCC(C(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is WRCSWOBHEMMOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-14(2)12(19)15-7-4-9(5-8-15)11(18)13-6-3-10(16)17/h9H,3-8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid?
3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 43170631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).