(2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide

C8H14N2O4 — CID 124930511

IUPAC(2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide
SMILESC[C@]1(O)CC(=O)N[C@@](C)(O)[C@H]1C(N)=O
InChIInChI=1S/C8H14N2O4/c1-7(13)3-4(11)10-8(2,14)5(7)6(9)12/h5,13-14H,3H2,1-2H3,(H2,9,12)(H,10,11)/t5-,7-,8-/m0/s1
InChIKeyOZXMSSBJQZYMRO-GEVIPFJHSA-N
MW202.21 g/mol
LogP-1.93
Rot. Bonds1

About (2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide

(2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide (PubChem CID 124930511) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide
PubChem CID124930511
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide
SMILESC[C@]1(O)CC(=O)N[C@@](C)(O)[C@H]1C(N)=O
InChIInChI=1S/C8H14N2O4/c1-7(13)3-4(11)10-8(2,14)5(7)6(9)12/h5,13-14H,3H2,1-2H3,(H2,9,12)(H,10,11)/t5-,7-,8-/m0/s1
InChIKeyOZXMSSBJQZYMRO-GEVIPFJHSA-N
XLogP-1.93
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide (CID 124930511) is (2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide is C[C@]1(O)CC(=O)N[C@@](C)(O)[C@H]1C(N)=O.
What is the InChIKey of (2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide?
The InChIKey is OZXMSSBJQZYMRO-GEVIPFJHSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-7(13)3-4(11)10-8(2,14)5(7)6(9)12/h5,13-14H,3H2,1-2H3,(H2,9,12)(H,10,11)/t5-,7-,8-/m0/s1.
What are the key properties of (2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide?
(2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide has a molecular weight of 202.21 g/mol, XLogP of -1.93, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 124930511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).