3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid

C13H24N2O3 — CID 54899890

IUPAC3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H24N2O3/c1-3-14(8-6-13(17)18)10-12(16)15-7-4-5-11(2)9-15/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyOBSOCBDKKGCPFE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds6

About 3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid

3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid (PubChem CID 54899890) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
PubChem CID54899890
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H24N2O3/c1-3-14(8-6-13(17)18)10-12(16)15-7-4-5-11(2)9-15/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyOBSOCBDKKGCPFE-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 54899793
3-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]propanoic acid
CID 61010359
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257704
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61186708
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55096796
N-[5-(diethylamino)pentan-2-yl]-3-methylpiperidine-1-carboxamide
CID 116653952
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111110103

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid (CID 54899890) is 3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid is CCN(CCC(=O)O)CC(=O)N1CCCC(C)C1.
What is the InChIKey of 3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is OBSOCBDKKGCPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-14(8-6-13(17)18)10-12(16)15-7-4-5-11(2)9-15/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 54899890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).