(2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one

C8H11NO2 — CID 96734159

IUPAC(2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one
SMILESCc1coc(C(=O)[C@H](C)N)c1
InChIInChI=1S/C8H11NO2/c1-5-3-7(11-4-5)8(10)6(2)9/h3-4,6H,9H2,1-2H3/t6-/m0/s1
InChIKeyLBJDSWDIFBHOBM-LURJTMIESA-N
MW153.18 g/mol
LogP1.12
Rot. Bonds2

About (2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one

(2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one (PubChem CID 96734159) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one
PubChem CID96734159
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one
SMILESCc1coc(C(=O)[C@H](C)N)c1
InChIInChI=1S/C8H11NO2/c1-5-3-7(11-4-5)8(10)6(2)9/h3-4,6H,9H2,1-2H3/t6-/m0/s1
InChIKeyLBJDSWDIFBHOBM-LURJTMIESA-N
XLogP1.12
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one (CID 96734159) is (2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one is Cc1coc(C(=O)[C@H](C)N)c1.
What is the InChIKey of (2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one?
The InChIKey is LBJDSWDIFBHOBM-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-3-7(11-4-5)8(10)6(2)9/h3-4,6H,9H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one?
(2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one has a molecular weight of 153.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 96734159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).