3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid

C11H21N3O3 — CID 61191985

IUPAC3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
SMILESCN1CCC(N(C)C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-13-7-4-9(5-8-13)14(2)11(17)12-6-3-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeySKBFQBXVVHNCBS-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds4

About 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid

3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid (PubChem CID 61191985) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
PubChem CID61191985
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
SMILESCN1CCC(N(C)C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-13-7-4-9(5-8-13)14(2)11(17)12-6-3-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeySKBFQBXVVHNCBS-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid (CID 61191985) is 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid is CN1CCC(N(C)C(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid?
The InChIKey is SKBFQBXVVHNCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-13-7-4-9(5-8-13)14(2)11(17)12-6-3-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid?
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61191985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).