[(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate

C8H17NO3 — CID 88870065

IUPAC[(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate
SMILESCC(=O)OCC(O)[C@@H](N)C(C)C
InChIInChI=1S/C8H17NO3/c1-5(2)8(9)7(11)4-12-6(3)10/h5,7-8,11H,4,9H2,1-3H3/t7?,8-/m0/s1
InChIKeyNSOYSUKAOSFRGI-MQWKRIRWSA-N
MW175.23 g/mol
LogP-0.11
Rot. Bonds4

About [(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate

[(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate (PubChem CID 88870065) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate.

Molecular Properties

Compound Name[(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate
PubChem CID88870065
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name[(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate
SMILESCC(=O)OCC(O)[C@@H](N)C(C)C
InChIInChI=1S/C8H17NO3/c1-5(2)8(9)7(11)4-12-6(3)10/h5,7-8,11H,4,9H2,1-3H3/t7?,8-/m0/s1
InChIKeyNSOYSUKAOSFRGI-MQWKRIRWSA-N
XLogP-0.11
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate?
The IUPAC name of [(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate (CID 88870065) is [(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate.
What is the SMILES notation for [(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate?
The canonical SMILES for [(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate is CC(=O)OCC(O)[C@@H](N)C(C)C.
What is the InChIKey of [(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate?
The InChIKey is NSOYSUKAOSFRGI-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5(2)8(9)7(11)4-12-6(3)10/h5,7-8,11H,4,9H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of [(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate?
[(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate has a molecular weight of 175.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate is sourced from PubChem (CID 88870065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).