3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid

C12H23N3O3 — CID 55123307

IUPAC3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N1CCC(N)CC1
InChIInChI=1S/C12H23N3O3/c1-3-14(8-9(2)11(16)17)12(18)15-6-4-10(13)5-7-15/h9-10H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyMBIWOJUCZAIXHB-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.57
Rot. Bonds4

About 3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid

3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid (PubChem CID 55123307) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
PubChem CID55123307
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N1CCC(N)CC1
InChIInChI=1S/C12H23N3O3/c1-3-14(8-9(2)11(16)17)12(18)15-6-4-10(13)5-7-15/h9-10H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyMBIWOJUCZAIXHB-UHFFFAOYSA-N
XLogP0.57
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55155373
3-[ethyl-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 114798871
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 62890249
3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid
CID 83265975
3-[1,3-dihydroisoindole-2-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62853763
2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749
3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 83219455
(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
CID 174538699
2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 55007166
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267
N-(cyclobutylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 107397947
3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid
CID 79121669

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid (CID 55123307) is 3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is MBIWOJUCZAIXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-14(8-9(2)11(16)17)12(18)15-6-4-10(13)5-7-15/h9-10H,3-8,13H2,1-2H3,(H,16,17).
What are the key properties of 3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55123307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).