3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid

C14H27N3O3 — CID 83265975

IUPAC3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-5-16(10-11(2)13(18)19)12-6-8-17(9-7-12)14(20)15(3)4/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyZYLBWGUZYPXZSH-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.17
Rot. Bonds5

About 3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid

3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid (PubChem CID 83265975) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid
PubChem CID83265975
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-5-16(10-11(2)13(18)19)12-6-8-17(9-7-12)14(20)15(3)4/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyZYLBWGUZYPXZSH-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid
CID 65062044
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid
CID 63548994
2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 55007166
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid
CID 83266595
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid
CID 83265684
3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55123307
3-[ethyl(thian-3-yl)amino]-2-methylpropanoic acid
CID 65062096
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
3-[ethyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide
CID 166901348
3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62084014

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid (CID 83265975) is 3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is ZYLBWGUZYPXZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-16(10-11(2)13(18)19)12-6-8-17(9-7-12)14(20)15(3)4/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid?
3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 83265975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).