(2-amino-3-hydroxy-2-methylpropyl) acetate

C6H13NO3 — CID 54399528

IUPAC(2-amino-3-hydroxy-2-methylpropyl) acetate
SMILESCC(=O)OCC(C)(N)CO
InChIInChI=1S/C6H13NO3/c1-5(9)10-4-6(2,7)3-8/h8H,3-4,7H2,1-2H3
InChIKeyUGVKUMQSPZUXIJ-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.74
Rot. Bonds3

About (2-amino-3-hydroxy-2-methylpropyl) acetate

(2-amino-3-hydroxy-2-methylpropyl) acetate (PubChem CID 54399528) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2-amino-3-hydroxy-2-methylpropyl) acetate.

Molecular Properties

Compound Name(2-amino-3-hydroxy-2-methylpropyl) acetate
PubChem CID54399528
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2-amino-3-hydroxy-2-methylpropyl) acetate
SMILESCC(=O)OCC(C)(N)CO
InChIInChI=1S/C6H13NO3/c1-5(9)10-4-6(2,7)3-8/h8H,3-4,7H2,1-2H3
InChIKeyUGVKUMQSPZUXIJ-UHFFFAOYSA-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

Tris(hydroxymethyl)aminomethane acetate
CID 16218782
Methyl 2-amino-3-hydroxy-2-methylpropanoate hydrochloride
CID 13221872
Unii-yyb8umn69X
CID 81291
2-Amino-3-methoxy-2-methylpropanoic acid
CID 560263
1-Propanol, 2-amino-2-methyl-, 1-acetate
CID 426398
Methyl (S)-2-amino-3-hydroxy-2-methylpropanoate
CID 12182191
Methyl (S)-2-amino-3-hydroxy-2-methylpropanoate hydrochloride
CID 13221873
Tris.acetate
CID 86612373
Methyl 2-amino-3-hydroxy-2-methylpropanoate
CID 10931849
1,3-Propanediol, 2-amino-, 1-acetate
CID 14465061
Methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate
CID 130045532
2-Amino-2-methyl-1,3-propanediol glycinate
CID 91176395

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-hydroxy-2-methylpropyl) acetate?
The IUPAC name of (2-amino-3-hydroxy-2-methylpropyl) acetate (CID 54399528) is (2-amino-3-hydroxy-2-methylpropyl) acetate.
What is the SMILES notation for (2-amino-3-hydroxy-2-methylpropyl) acetate?
The canonical SMILES for (2-amino-3-hydroxy-2-methylpropyl) acetate is CC(=O)OCC(C)(N)CO.
What is the InChIKey of (2-amino-3-hydroxy-2-methylpropyl) acetate?
The InChIKey is UGVKUMQSPZUXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(9)10-4-6(2,7)3-8/h8H,3-4,7H2,1-2H3.
What are the key properties of (2-amino-3-hydroxy-2-methylpropyl) acetate?
(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 (2-amino-3-hydroxy-2-methylpropyl) acetate is sourced from PubChem (CID 54399528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).