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

C13H25N3O3 — CID 62547194

IUPAC3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C13H25N3O3/c1-4-16(9-7-12(17)18)13(19)15(3)11-6-5-8-14(2)10-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyWSSKXBIDSRFGFT-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.93
Rot. Bonds5

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

3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid (PubChem CID 62547194) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
PubChem CID62547194
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C13H25N3O3/c1-4-16(9-7-12(17)18)13(19)15(3)11-6-5-8-14(2)10-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyWSSKXBIDSRFGFT-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.93
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
3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
CID 61194349
3-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-ethylamino]propanoic acid
CID 61204866
4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid
CID 64889930
7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
CID 62547378
2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 62547381
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid
CID 61191644
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 55209464
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 62546411

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid (CID 62547194) is 3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)N(C)C1CCCN(C)C1.
What is the InChIKey of 3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid?
The InChIKey is WSSKXBIDSRFGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-16(9-7-12(17)18)13(19)15(3)11-6-5-8-14(2)10-11/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid?
3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 62547194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).