tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate

C10H18N2O3 — CID 131152423

IUPACtert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N)C1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(11)8(12)13/h7H,4-6,11H2,1-3H3/t7-/m1/s1
InChIKeyNQGHDCYUNMFGRR-SSDOTTSWSA-N
MW214.26 g/mol
LogP0.87
Rot. Bonds

About tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate

tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate (PubChem CID 131152423) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
PubChem CID131152423
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N)C1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(11)8(12)13/h7H,4-6,11H2,1-3H3/t7-/m1/s1
InChIKeyNQGHDCYUNMFGRR-SSDOTTSWSA-N
XLogP0.87
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
CID 10846260
tert-butyl 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594
tert-butyl 3-iodo-2-oxopyrrolidine-1-carboxylate
CID 156755217
tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate
CID 164903673
tert-butyl 3-(4-methylbenzoyl)-2-oxopiperidine-1-carboxylate
CID 145068213
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CID 11543750
tert-butyl 3-(4-bromobenzoyl)-2-oxopiperidine-1-carboxylate
CID 90458862
tert-butyl 3-amino-4-oxoazepane-1-carboxylate
CID 75355418
1-O-tert-butyl 3-O-ethyl (3S)-2-oxopyrrolidine-1,3-dicarboxylate
CID 92980910
tert-butyl 9-amino-2,2-difluoro-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h][1]benzazepine-5-carboxylate
CID 68679505
tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate
CID 151181116
tert-butyl 3-(2-cyclopropyl-2-oxoethyl)-2,4-dioxopiperidine-1-carboxylate
CID 101043281

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate (CID 131152423) is tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1=O.
What is the InChIKey of tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate?
The InChIKey is NQGHDCYUNMFGRR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(11)8(12)13/h7H,4-6,11H2,1-3H3/t7-/m1/s1.
What are the key properties of tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate?
tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 131152423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).