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

C12H21N3O4 — CID 61439680

IUPAC3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCNC(=O)C1CCN(C(=O)N(C)CCC(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-13-11(18)9-3-7-15(8-4-9)12(19)14(2)6-5-10(16)17/h9H,3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyZDRFGJVGMNZEEE-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.03
Rot. Bonds4

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

3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 61439680) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID61439680
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCNC(=O)C1CCN(C(=O)N(C)CCC(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-13-11(18)9-3-7-15(8-4-9)12(19)14(2)6-5-10(16)17/h9H,3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyZDRFGJVGMNZEEE-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-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid (CID 61439680) is 3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid is CNC(=O)C1CCN(C(=O)N(C)CCC(=O)O)CC1.
What is the InChIKey of 3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is ZDRFGJVGMNZEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-13-11(18)9-3-7-15(8-4-9)12(19)14(2)6-5-10(16)17/h9H,3-8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 3-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid?
3-[methyl-[4-(methylcarbamoyl)piperidine-1-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-[methyl-[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61439680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).