ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate

C14H26N2O3 — CID 103929382

IUPACethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-5-19-13(18)10-8-6-7-9-16(10)12(17)11(15)14(2,3)4/h10-11H,5-9,15H2,1-4H3/t10?,11-/m0/s1
InChIKeyIOUKPBBTFMQXNN-DTIOYNMSSA-N
MW270.37 g/mol
LogP1.30
Rot. Bonds3

About ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate

ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate (PubChem CID 103929382) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
PubChem CID103929382
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-5-19-13(18)10-8-6-7-9-16(10)12(17)11(15)14(2,3)4/h10-11H,5-9,15H2,1-4H3/t10?,11-/m0/s1
InChIKeyIOUKPBBTFMQXNN-DTIOYNMSSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 70822851
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
benzyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 68762366
ethyl 4-(2-amino-3,3-dimethylbutanoyl)thiomorpholine-3-carboxylate
CID 76895081
ethyl 4-[(2S)-2-amino-3,3-dimethylbutanoyl]thiomorpholine-3-carboxylate
CID 61165038
ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 78917554
ethyl 1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-2-carboxylate
CID 104907897
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537911
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate (CID 103929382) is ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate?
The InChIKey is IOUKPBBTFMQXNN-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-19-13(18)10-8-6-7-9-16(10)12(17)11(15)14(2,3)4/h10-11H,5-9,15H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate?
ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 103929382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).