[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate

C6H13NO3 — CID 10844523

IUPAC[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate
SMILESCC(=O)OC[C@](C)(N)CO
InChIInChI=1S/C6H13NO3/c1-5(9)10-4-6(2,7)3-8/h8H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKeyUGVKUMQSPZUXIJ-ZCFIWIBFSA-N
MW147.17 g/mol
LogP-0.74
Rot. Bonds3

About [(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate

[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate (PubChem CID 10844523) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is [(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate.

Molecular Properties

Compound Name[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate
PubChem CID10844523
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate
SMILESCC(=O)OC[C@](C)(N)CO
InChIInChI=1S/C6H13NO3/c1-5(9)10-4-6(2,7)3-8/h8H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKeyUGVKUMQSPZUXIJ-ZCFIWIBFSA-N
XLogP-0.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-hydroxy-2-methylpropyl) N,N-bis(sulfanyl)carbamate
CID 174158124
2,2-dimethylpropyl acetate
CID 13552
[2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate
CID 14391248
acetyl acetate;(3-acetyloxy-2,2-dimethylpropyl) acetate;2,2-dimethylpropane-1,3-diol;methane
CID 157216906
[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
CID 122525361
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropan-1-ol
CID 113427544
[2-[[3-acetyloxy-2,2-bis(acetyloxymethyl)propoxy]methyl]-2-(acetyloxymethyl)-3-hydroxypropyl] acetate
CID 53423506
(3-acetyloxy-2,2-difluoropropyl) acetate
CID 59792531
(2-methyl-2-tellanylbutyl) acetate
CID 175046736
2-amino-2-methylpropane-1,3-diol;hydrate
CID 173189946
2-amino-2-methylpropane-1,3-diol;azane
CID 172847501
[2-(hydroxymethyl)-4-methyl-2-(2-methylprop-2-enyl)pent-4-enyl] acetate
CID 177417349

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate?
The IUPAC name of [(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate (CID 10844523) is [(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate.
What is the SMILES notation for [(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate?
The canonical SMILES for [(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate is CC(=O)OC[C@](C)(N)CO.
What is the InChIKey of [(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate?
The InChIKey is UGVKUMQSPZUXIJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(9)10-4-6(2,7)3-8/h8H,3-4,7H2,1-2H3/t6-/m1/s1.
What are the key properties of [(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate?
[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate has a molecular weight of 147.17 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate is sourced from PubChem (CID 10844523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).