ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate

C13H24N2O3 — CID 43119956

IUPACethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(N)C(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)10-5-7-15(8-6-10)12(16)11(14)9(2)3/h9-11H,4-8,14H2,1-3H3
InChIKeyVMMZHVGSWHYKRX-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.77
Rot. Bonds4

About ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate

ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate (PubChem CID 43119956) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
PubChem CID43119956
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(N)C(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)10-5-7-15(8-6-10)12(16)11(14)9(2)3/h9-11H,4-8,14H2,1-3H3
InChIKeyVMMZHVGSWHYKRX-UHFFFAOYSA-N
XLogP0.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267
ethyl 1-[(2R)-2-amino-3-methylbutanoyl]piperidine-3-carboxylate
CID 79011559
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
CID 60846566
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate
CID 129182710
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61162789
2-amino-3-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119851877

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate (CID 43119956) is ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(N)C(C)C)CC1.
What is the InChIKey of ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate?
The InChIKey is VMMZHVGSWHYKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-18-13(17)10-5-7-15(8-6-10)12(16)11(14)9(2)3/h9-11H,4-8,14H2,1-3H3.
What are the key properties of ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate?
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43119956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).