3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid

C15H28N2O3 — CID 60834885

IUPAC3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid
SMILESCC1CC(C)CN(C(=O)CN(CCC(=O)O)C(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11(2)16(6-5-15(19)20)10-14(18)17-8-12(3)7-13(4)9-17/h11-13H,5-10H2,1-4H3,(H,19,20)
InChIKeyJWJHAFAJSMLBSP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.68
Rot. Bonds6

About 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid

3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid (PubChem CID 60834885) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid
PubChem CID60834885
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid
SMILESCC1CC(C)CN(C(=O)CN(CCC(=O)O)C(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11(2)16(6-5-15(19)20)10-14(18)17-8-12(3)7-13(4)9-17/h11-13H,5-10H2,1-4H3,(H,19,20)
InChIKeyJWJHAFAJSMLBSP-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834906
3-[3-methylbutyl(propan-2-yl)amino]propanoic acid
CID 60840337
2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54945218
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62020113
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 79181857
3-chloro-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 40560802
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
CID 896367
3-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]propanethioamide
CID 54996516
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butane-1,3-dione
CID 26026135
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 43237439
1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 60696591

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid (CID 60834885) is 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid is CC1CC(C)CN(C(=O)CN(CCC(=O)O)C(C)C)C1.
What is the InChIKey of 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
The InChIKey is JWJHAFAJSMLBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)16(6-5-15(19)20)10-14(18)17-8-12(3)7-13(4)9-17/h11-13H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 60834885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).