2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid

C10H19N3O3 — CID 43445625

IUPAC2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid
SMILESCN1CCC(N(C)C(=O)NCC(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-12-5-3-8(4-6-12)13(2)10(16)11-7-9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyZSAHVYOLDSYAOX-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.19
Rot. Bonds3

About 2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid

2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid (PubChem CID 43445625) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid
PubChem CID43445625
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid
SMILESCN1CCC(N(C)C(=O)NCC(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-12-5-3-8(4-6-12)13(2)10(16)11-7-9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyZSAHVYOLDSYAOX-UHFFFAOYSA-N
XLogP-0.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid (CID 43445625) is 2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid is CN1CCC(N(C)C(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid?
The InChIKey is ZSAHVYOLDSYAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-12-5-3-8(4-6-12)13(2)10(16)11-7-9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid?
2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43445625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).