[(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid

C9H16N2O3 — CID 90279823

IUPAC[(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CNC[C@H](C2CC2)[C@@H]1O
InChIInChI=1S/C9H16N2O3/c12-8-6(5-1-2-5)3-10-4-7(8)11-9(13)14/h5-8,10-12H,1-4H2,(H,13,14)/t6-,7-,8+/m1/s1
InChIKeyLNMWDTOOZDGQFI-PRJMDXOYSA-N
MW200.24 g/mol
LogP-0.39
Rot. Bonds2

About [(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid

[(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid (PubChem CID 90279823) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is [(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid
PubChem CID90279823
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name[(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CNC[C@H](C2CC2)[C@@H]1O
InChIInChI=1S/C9H16N2O3/c12-8-6(5-1-2-5)3-10-4-7(8)11-9(13)14/h5-8,10-12H,1-4H2,(H,13,14)/t6-,7-,8+/m1/s1
InChIKeyLNMWDTOOZDGQFI-PRJMDXOYSA-N
XLogP-0.39
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid
CID 154998847
[(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid
CID 118036175
(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 129369631
N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide
CID 15015135
(4-ethylpyrrolidin-3-yl)carbamic acid
CID 174763111
[(3R,5S)-5-hydroxypiperidin-3-yl]carbamic acid
CID 174231588
(2R)-N-(3-azabicyclo[3.1.0]hexan-6-yl)azetidine-2-carboxamide
CID 130636996
N-[(4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide
CID 71169155
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11789290
(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol
CID 98114773
tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate
CID 18939323
methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
CID 155905262

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid?
The IUPAC name of [(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid (CID 90279823) is [(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CNC[C@H](C2CC2)[C@@H]1O.
What is the InChIKey of [(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid?
The InChIKey is LNMWDTOOZDGQFI-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8-6(5-1-2-5)3-10-4-7(8)11-9(13)14/h5-8,10-12H,1-4H2,(H,13,14)/t6-,7-,8+/m1/s1.
What are the key properties of [(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid?
[(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid has a molecular weight of 200.24 g/mol, XLogP of -0.39, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid is sourced from PubChem (CID 90279823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).