[(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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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).