(3S)-3-amino-4-phenylmethoxybutan-2-one

C11H15NO2 — CID 5289348

IUPAC(3S)-3-amino-4-phenylmethoxybutan-2-one
SMILESCC(=O)[C@@H](N)COCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(13)11(12)8-14-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m0/s1
InChIKeyISLRAQPEXPIKDJ-NSHDSACASA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds5

About (3S)-3-amino-4-phenylmethoxybutan-2-one

(3S)-3-amino-4-phenylmethoxybutan-2-one (PubChem CID 5289348) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S)-3-amino-4-phenylmethoxybutan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-4-phenylmethoxybutan-2-one
PubChem CID5289348
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3S)-3-amino-4-phenylmethoxybutan-2-one
SMILESCC(=O)[C@@H](N)COCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(13)11(12)8-14-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m0/s1
InChIKeyISLRAQPEXPIKDJ-NSHDSACASA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-phenylmethoxybutan-2-one?
The IUPAC name of (3S)-3-amino-4-phenylmethoxybutan-2-one (CID 5289348) is (3S)-3-amino-4-phenylmethoxybutan-2-one.
What is the SMILES notation for (3S)-3-amino-4-phenylmethoxybutan-2-one?
The canonical SMILES for (3S)-3-amino-4-phenylmethoxybutan-2-one is CC(=O)[C@@H](N)COCc1ccccc1.
What is the InChIKey of (3S)-3-amino-4-phenylmethoxybutan-2-one?
The InChIKey is ISLRAQPEXPIKDJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(13)11(12)8-14-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-amino-4-phenylmethoxybutan-2-one?
(3S)-3-amino-4-phenylmethoxybutan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-phenylmethoxybutan-2-one is sourced from PubChem (CID 5289348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).