[(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate

C7H15NO3 — CID 88618180

IUPAC[(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate
SMILESCC(=O)OCC(C)(N)[C@H](C)O
InChIInChI=1S/C7H15NO3/c1-5(9)7(3,8)4-11-6(2)10/h5,9H,4,8H2,1-3H3/t5-,7?/m0/s1
InChIKeyMENHXRQLHQSPMF-DSEUIKHZSA-N
MW161.20 g/mol
LogP-0.35
Rot. Bonds3

About [(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate

[(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate (PubChem CID 88618180) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is [(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate.

Molecular Properties

Compound Name[(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate
PubChem CID88618180
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name[(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate
SMILESCC(=O)OCC(C)(N)[C@H](C)O
InChIInChI=1S/C7H15NO3/c1-5(9)7(3,8)4-11-6(2)10/h5,9H,4,8H2,1-3H3/t5-,7?/m0/s1
InChIKeyMENHXRQLHQSPMF-DSEUIKHZSA-N
XLogP-0.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate?
The IUPAC name of [(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate (CID 88618180) is [(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate.
What is the SMILES notation for [(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate?
The canonical SMILES for [(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate is CC(=O)OCC(C)(N)[C@H](C)O.
What is the InChIKey of [(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate?
The InChIKey is MENHXRQLHQSPMF-DSEUIKHZSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(9)7(3,8)4-11-6(2)10/h5,9H,4,8H2,1-3H3/t5-,7?/m0/s1.
What are the key properties of [(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate?
[(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate has a molecular weight of 161.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-amino-3-hydroxy-2-methylbutyl] acetate is sourced from PubChem (CID 88618180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).