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

C12H23N3O3 — CID 61191644

IUPAC2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H23N3O3/c1-4-15(9-11(16)17)12(18)14(3)10-5-7-13(2)8-6-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyIIMKQIPBEJMBFS-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.54
Rot. Bonds4

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

2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid (PubChem CID 61191644) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid
PubChem CID61191644
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H23N3O3/c1-4-15(9-11(16)17)12(18)14(3)10-5-7-13(2)8-6-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyIIMKQIPBEJMBFS-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
CID 61191817
2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
CID 61198741
2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid
CID 61203323
1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea
CID 143486621
3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 62547194
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
CID 61194349
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596
2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 63208770
2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 61223104
2-[2-(dimethylamino)ethyl-(1-methylazepan-4-yl)amino]acetic acid
CID 107426097
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid (CID 61191644) is 2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid?
The InChIKey is IIMKQIPBEJMBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-15(9-11(16)17)12(18)14(3)10-5-7-13(2)8-6-10/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid?
2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61191644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).