ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate

C12H21N3O4 — CID 60846566

IUPACethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C12H21N3O4/c1-2-19-12(18)8-3-5-15(6-4-8)11(17)9(13)7-10(14)16/h8-9H,2-7,13H2,1H3,(H2,14,16)
InChIKeyGVJPGVXOTGSTHF-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.01
Rot. Bonds5

About ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate

ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate (PubChem CID 60846566) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
PubChem CID60846566
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C12H21N3O4/c1-2-19-12(18)8-3-5-15(6-4-8)11(17)9(13)7-10(14)16/h8-9H,2-7,13H2,1H3,(H2,14,16)
InChIKeyGVJPGVXOTGSTHF-UHFFFAOYSA-N
XLogP-1.01
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
CID 54916787
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
3-amino-4-oxo-4-(4-propan-2-ylazepan-1-yl)butanamide;hydrochloride
CID 119957428
3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957116
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate (CID 60846566) is ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(N)CC(N)=O)CC1.
What is the InChIKey of ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate?
The InChIKey is GVJPGVXOTGSTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-19-12(18)8-3-5-15(6-4-8)11(17)9(13)7-10(14)16/h8-9H,2-7,13H2,1H3,(H2,14,16).
What are the key properties of ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate?
ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate has a molecular weight of 271.32 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 60846566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).