tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid

C11H23N3O5 — CID 69182337

IUPACtert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCNC[C@H]1O.NC(=O)O
InChIInChI=1S/C10H20N2O3.CH3NO2/c1-10(2,3)15-9(14)12-7-4-5-11-6-8(7)13;2-1(3)4/h7-8,11,13H,4-6H2,1-3H3,(H,12,14);2H2,(H,3,4)/t7-,8+;/m0./s1
InChIKeyPHLQNKJBPZEDAL-KZYPOYLOSA-N
MW277.32 g/mol
LogP-0.14
Rot. Bonds1

About tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid

tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid (PubChem CID 69182337) has the molecular formula C11H23N3O5 and a molecular weight of 277.32 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
PubChem CID69182337
Molecular FormulaC11H23N3O5
Molecular Weight277.32 g/mol
Exact Mass277.16
IUPAC Nametert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCNC[C@H]1O.NC(=O)O
InChIInChI=1S/C10H20N2O3.CH3NO2/c1-10(2,3)15-9(14)12-7-4-5-11-6-8(7)13;2-1(3)4/h7-8,11,13H,4-6H2,1-3H3,(H,12,14);2H2,(H,3,4)/t7-,8+;/m0./s1
InChIKeyPHLQNKJBPZEDAL-KZYPOYLOSA-N
XLogP-0.14
TPSA133.91 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid?
The IUPAC name of tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid (CID 69182337) is tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid.
What is the SMILES notation for tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid?
The canonical SMILES for tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid is CC(C)(C)OC(=O)N[C@H]1CCNC[C@H]1O.NC(=O)O.
What is the InChIKey of tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid?
The InChIKey is PHLQNKJBPZEDAL-KZYPOYLOSA-N. The full InChI is InChI=1S/C10H20N2O3.CH3NO2/c1-10(2,3)15-9(14)12-7-4-5-11-6-8(7)13;2-1(3)4/h7-8,11,13H,4-6H2,1-3H3,(H,12,14);2H2,(H,3,4)/t7-,8+;/m0./s1.
What are the key properties of tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid?
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid has a molecular weight of 277.32 g/mol, XLogP of -0.14, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid is sourced from PubChem (CID 69182337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).