ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate

C13H24N2O3 — CID 770512

IUPACethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate
SMILESCCC[C@@H](N)C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C13H24N2O3/c1-3-5-11(14)12(16)15-8-6-10(7-9-15)13(17)18-4-2/h10-11H,3-9,14H2,1-2H3/t11-/m1/s1
InChIKeyAQRCVRLLQHUMIM-LLVKDONJSA-N
MW256.35 g/mol
LogP0.92
Rot. Bonds5

About ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate

ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate (PubChem CID 770512) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate
PubChem CID770512
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate
SMILESCCC[C@@H](N)C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C13H24N2O3/c1-3-5-11(14)12(16)15-8-6-10(7-9-15)13(17)18-4-2/h10-11H,3-9,14H2,1-2H3/t11-/m1/s1
InChIKeyAQRCVRLLQHUMIM-LLVKDONJSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
Methyl 1-(2-amino-2-oxoethyl)-4-piperidinecarboxylate
CID 1490557
rac-1-tert-butyl 4-ethyl (3R,4R)-3-aminopiperidine-1,4-dicarboxylate
CID 137942804
Ethyl 4-(((1-isopropylpiperidin-4-yl)methyl)amino)-4-oxobutanoate
CID 45558420
(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 98773286
Ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 46508264
Ethyl 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylate
CID 60641219
Ethyl 1-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperidine-4-carboxylate
CID 78787343
Ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate
CID 78914744
Methyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate
CID 79796870
Ethyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylate
CID 79796874

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate (CID 770512) is ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate is CCC[C@@H](N)C(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate?
The InChIKey is AQRCVRLLQHUMIM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-5-11(14)12(16)15-8-6-10(7-9-15)13(17)18-4-2/h10-11H,3-9,14H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate?
ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-2-aminopentanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 770512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).