(3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one

C21H35NO3Si — CID 129009799

IUPAC(3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one
SMILESCC(=O)C(CCO[Si](C)(C)C(C)(C)C)[C@@](C)(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C21H35NO3Si/c1-15(23)18(11-13-25-26(6,7)20(2,3)4)21(5,22)17-8-9-19-16(14-17)10-12-24-19/h8-9,14,18H,10-13,22H2,1-7H3/t18?,21-/m0/s1
InChIKeyFMAHBVNZXQFOEP-ZYZRXSCRSA-N
MW377.60 g/mol
LogP4.41
Rot. Bonds7

About (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one

(3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one (PubChem CID 129009799) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one
PubChem CID129009799
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Name(3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one
SMILESCC(=O)C(CCO[Si](C)(C)C(C)(C)C)[C@@](C)(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C21H35NO3Si/c1-15(23)18(11-13-25-26(6,7)20(2,3)4)21(5,22)17-8-9-19-16(14-17)10-12-24-19/h8-9,14,18H,10-13,22H2,1-7H3/t18?,21-/m0/s1
InChIKeyFMAHBVNZXQFOEP-ZYZRXSCRSA-N
XLogP4.41
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136364
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 62717626
1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
CID 104542207
2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol
CID 104545017
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine
CID 104542243
4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol
CID 67134728
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 23335826
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one?
The IUPAC name of (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one (CID 129009799) is (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one.
What is the SMILES notation for (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one?
The canonical SMILES for (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one is CC(=O)C(CCO[Si](C)(C)C(C)(C)C)[C@@](C)(N)c1ccc2c(c1)CCO2.
What is the InChIKey of (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one?
The InChIKey is FMAHBVNZXQFOEP-ZYZRXSCRSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-15(23)18(11-13-25-26(6,7)20(2,3)4)21(5,22)17-8-9-19-16(14-17)10-12-24-19/h8-9,14,18H,10-13,22H2,1-7H3/t18?,21-/m0/s1.
What are the key properties of (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one?
(3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one has a molecular weight of 377.60 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)pentan-2-one is sourced from PubChem (CID 129009799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).