(3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide

C8H15NO3 — CID 130978140

IUPAC(3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide
SMILESC[C@@H]1OC[C@H](C(=O)N(C)C)[C@H]1O
InChIInChI=1S/C8H15NO3/c1-5-7(10)6(4-12-5)8(11)9(2)3/h5-7,10H,4H2,1-3H3/t5-,6-,7-/m0/s1
InChIKeyYYTAIJHUFMGUFB-ACZMJKKPSA-N
MW173.21 g/mol
LogP-0.53
Rot. Bonds1

About (3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide

(3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide (PubChem CID 130978140) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound Name(3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide
PubChem CID130978140
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide
SMILESC[C@@H]1OC[C@H](C(=O)N(C)C)[C@H]1O
InChIInChI=1S/C8H15NO3/c1-5-7(10)6(4-12-5)8(11)9(2)3/h5-7,10H,4H2,1-3H3/t5-,6-,7-/m0/s1
InChIKeyYYTAIJHUFMGUFB-ACZMJKKPSA-N
XLogP-0.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol
CID 174197910
N,N,2-trimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-4-carboxamide
CID 166145246
(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide
CID 66936245
(2R,3R,4S,5S)-5-fluoro-2-methyloxane-3,4-diol
CID 57124283
(2R,4R,5S)-5-amino-2-methyloxane-3,4-diol
CID 91820713
N,N,3-trimethylaziridine-2-carboxamide
CID 15864839
(2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 146233971
(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide
CID 130638177

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide?
The IUPAC name of (3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide (CID 130978140) is (3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for (3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for (3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide is C[C@@H]1OC[C@H](C(=O)N(C)C)[C@H]1O.
What is the InChIKey of (3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide?
The InChIKey is YYTAIJHUFMGUFB-ACZMJKKPSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-7(10)6(4-12-5)8(11)9(2)3/h5-7,10H,4H2,1-3H3/t5-,6-,7-/m0/s1.
What are the key properties of (3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide?
(3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide has a molecular weight of 173.21 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 130978140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).