[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid

C11H21N3O4 — CID 69017541

IUPAC[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CNCC[C@H]1NC(=O)O
InChIInChI=1S/C11H21N3O4/c1-11(2,3)18-10(17)14-8-6-12-5-4-7(8)13-9(15)16/h7-8,12-13H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+/m1/s1
InChIKeyNKGSONRODJOCKF-SFYZADRCSA-N
MW259.31 g/mol
LogP0.51
Rot. Bonds2

About [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid

[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid (PubChem CID 69017541) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
PubChem CID69017541
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CNCC[C@H]1NC(=O)O
InChIInChI=1S/C11H21N3O4/c1-11(2,3)18-10(17)14-8-6-12-5-4-7(8)13-9(15)16/h7-8,12-13H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+/m1/s1
InChIKeyNKGSONRODJOCKF-SFYZADRCSA-N
XLogP0.51
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
CID 69182337
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
CID 102548857
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid?
The IUPAC name of [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid (CID 69017541) is [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid?
The canonical SMILES for [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid is CC(C)(C)OC(=O)N[C@H]1CNCC[C@H]1NC(=O)O.
What is the InChIKey of [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid?
The InChIKey is NKGSONRODJOCKF-SFYZADRCSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-11(2,3)18-10(17)14-8-6-12-5-4-7(8)13-9(15)16/h7-8,12-13H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+/m1/s1.
What are the key properties of [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid?
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid has a molecular weight of 259.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 69017541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).