methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate

C10H18N2O5 — CID 10658068

IUPACmethyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate
SMILESCOC(=O)CN1C[C@@H](O)C(NC(C)=O)[C@@H](O)C1
InChIInChI=1S/C10H18N2O5/c1-6(13)11-10-7(14)3-12(4-8(10)15)5-9(16)17-2/h7-8,10,14-15H,3-5H2,1-2H3,(H,11,13)/t7-,8+,10?
InChIKeyXHGGOCKPPKYJBM-JWHQNHQBSA-N
MW246.26 g/mol
LogP-2.30
Rot. Bonds3

About methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate

methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate (PubChem CID 10658068) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate
PubChem CID10658068
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Namemethyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate
SMILESCOC(=O)CN1C[C@@H](O)C(NC(C)=O)[C@@H](O)C1
InChIInChI=1S/C10H18N2O5/c1-6(13)11-10-7(14)3-12(4-8(10)15)5-9(16)17-2/h7-8,10,14-15H,3-5H2,1-2H3,(H,11,13)/t7-,8+,10?
InChIKeyXHGGOCKPPKYJBM-JWHQNHQBSA-N
XLogP-2.30
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid
CID 10421439
N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide
CID 68571558
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid
CID 59039273
methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetate
CID 60915647
methyl 2-[3-methyl-5-(methylamino)piperidin-1-yl]acetate
CID 83990030
1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990036
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate
CID 130523459
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate (CID 10658068) is methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate is COC(=O)CN1C[C@@H](O)C(NC(C)=O)[C@@H](O)C1.
What is the InChIKey of methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate?
The InChIKey is XHGGOCKPPKYJBM-JWHQNHQBSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-6(13)11-10-7(14)3-12(4-8(10)15)5-9(16)17-2/h7-8,10,14-15H,3-5H2,1-2H3,(H,11,13)/t7-,8+,10?.
What are the key properties of methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate?
methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate has a molecular weight of 246.26 g/mol, XLogP of -2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate is sourced from PubChem (CID 10658068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).