[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid

C11H21N3O4 — CID 141220052

IUPAC[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC[C@H](NC(=O)O)C1
InChIInChI=1S/C11H21N3O4/c1-11(2,3)18-10(17)14-8-4-7(5-12-6-8)13-9(15)16/h7-8,12-13H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+/m1/s1
InChIKeyZVMJBNVSNHEWSF-SFYZADRCSA-N
MW259.31 g/mol
LogP0.51
Rot. Bonds2

About [(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid

[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid (PubChem CID 141220052) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is [(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
PubChem CID141220052
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC[C@H](NC(=O)O)C1
InChIInChI=1S/C11H21N3O4/c1-11(2,3)18-10(17)14-8-4-7(5-12-6-8)13-9(15)16/h7-8,12-13H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+/m1/s1
InChIKeyZVMJBNVSNHEWSF-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

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Related Compounds

tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
tert-butyl N-[(3S)-5-fluoropiperidin-3-yl]carbamate
CID 129241023
tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 99646092
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3aS,5R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]carbamate
CID 124709566
benzyl formate;tert-butyl N-[(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 174724044
tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate
CID 46829957
[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
CID 150881139
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-(3-azabicyclo[3.1.1]heptan-6-yl)carbamate;oxalic acid
CID 75525774
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid (CID 141220052) is [(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid is CC(C)(C)OC(=O)N[C@@H]1CNC[C@H](NC(=O)O)C1.
What is the InChIKey of [(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid?
The InChIKey is ZVMJBNVSNHEWSF-SFYZADRCSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-11(2,3)18-10(17)14-8-4-7(5-12-6-8)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 [(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid?
[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-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 [(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 141220052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).