(2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide

C8H15NO4 — CID 171040956

IUPAC(2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide
SMILESCC1(C)OC[C@@](C)([C@@H](O)C(N)=O)O1
InChIInChI=1S/C8H15NO4/c1-7(2)12-4-8(3,13-7)5(10)6(9)11/h5,10H,4H2,1-3H3,(H2,9,11)/t5-,8-/m0/s1
InChIKeyHRTRKGZAXOUSDP-XNCJUZBTSA-N
MW189.21 g/mol
LogP-0.63
Rot. Bonds2

About (2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide

(2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide (PubChem CID 171040956) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide
PubChem CID171040956
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide
SMILESCC1(C)OC[C@@](C)([C@@H](O)C(N)=O)O1
InChIInChI=1S/C8H15NO4/c1-7(2)12-4-8(3,13-7)5(10)6(9)11/h5,10H,4H2,1-3H3,(H2,9,11)/t5-,8-/m0/s1
InChIKeyHRTRKGZAXOUSDP-XNCJUZBTSA-N
XLogP-0.63
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxy-2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 56984546
[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11106100
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetamide
CID 13388534
2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide
CID 13255391
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
(4S)-2,2,5,5-tetramethyl-1,3-dioxane-4-carboxamide
CID 11252443
(2,2,5-trimethyl-1,3-dioxan-5-yl) 2-methylpropanoate
CID 175254873
3-hydroxy-4-methyl-2-oxopentanamide
CID 141452509
2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one
CID 87415294
4-bromo-2,2,4-trimethyl-1,3-dioxolane
CID 163687998
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
(2,2,5-trimethyl-1,3-dioxan-5-yl) acetate
CID 143439186

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide?
The IUPAC name of (2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide (CID 171040956) is (2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide.
What is the SMILES notation for (2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide?
The canonical SMILES for (2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide is CC1(C)OC[C@@](C)([C@@H](O)C(N)=O)O1.
What is the InChIKey of (2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide?
The InChIKey is HRTRKGZAXOUSDP-XNCJUZBTSA-N. The full InChI is InChI=1S/C8H15NO4/c1-7(2)12-4-8(3,13-7)5(10)6(9)11/h5,10H,4H2,1-3H3,(H2,9,11)/t5-,8-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide?
(2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide has a molecular weight of 189.21 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]acetamide is sourced from PubChem (CID 171040956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).