(4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one

C9H16N2O2 — CID 10535493

IUPAC(4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one
SMILESO=C1C[C@@H]([C@@H]2C[C@@H](O)CN2)CCN1
InChIInChI=1S/C9H16N2O2/c12-7-4-8(11-5-7)6-1-2-10-9(13)3-6/h6-8,11-12H,1-5H2,(H,10,13)/t6-,7+,8-/m0/s1
InChIKeyNXEHNTQMFGAWOU-RNJXMRFFSA-N
MW184.24 g/mol
LogP-0.76
Rot. Bonds1

About (4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one

(4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one (PubChem CID 10535493) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one
PubChem CID10535493
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one
SMILESO=C1C[C@@H]([C@@H]2C[C@@H](O)CN2)CCN1
InChIInChI=1S/C9H16N2O2/c12-7-4-8(11-5-7)6-1-2-10-9(13)3-6/h6-8,11-12H,1-5H2,(H,10,13)/t6-,7+,8-/m0/s1
InChIKeyNXEHNTQMFGAWOU-RNJXMRFFSA-N
XLogP-0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one
CID 10749987
4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one
CID 18657856
4-(2-oxopiperidin-4-yl)piperidin-2-one
CID 66803450
4-cyclopropylpiperidin-2-one
CID 75132317
4-cyclopentylpiperidin-2-one
CID 75132410
5-hydroxyazepan-2-one
CID 14609266
3-(2-oxopiperidin-4-yl)piperidin-2-one
CID 118294795
2,4,4a,5,6,7,8,8a-octahydro-1H-2,7-naphthyridin-3-one
CID 105430139
(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-2-one;hydrochloride
CID 139034640
[(4R)-2-oxopiperidin-4-yl]azanium
CID 27282256
(2S,4R)-2-cyclopropylpiperidin-4-ol
CID 82651262
(5S)-5-hydroxypiperidin-2-one
CID 10964456

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one?
The IUPAC name of (4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one (CID 10535493) is (4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one.
What is the SMILES notation for (4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one?
The canonical SMILES for (4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one is O=C1C[C@@H]([C@@H]2C[C@@H](O)CN2)CCN1.
What is the InChIKey of (4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one?
The InChIKey is NXEHNTQMFGAWOU-RNJXMRFFSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-7-4-8(11-5-7)6-1-2-10-9(13)3-6/h6-8,11-12H,1-5H2,(H,10,13)/t6-,7+,8-/m0/s1.
What are the key properties of (4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one?
(4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one is sourced from PubChem (CID 10535493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).