methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate

C10H11NO3 — CID 130722266

IUPACmethyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1cccc2c1[C@H](N)CO2
InChIInChI=1S/C10H11NO3/c1-13-10(12)6-3-2-4-8-9(6)7(11)5-14-8/h2-4,7H,5,11H2,1H3/t7-/m1/s1
InChIKeyRPIKZDNLPCMRSG-SSDOTTSWSA-N
MW193.20 g/mol
LogP0.87
Rot. Bonds1

About methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate

methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate (PubChem CID 130722266) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
PubChem CID130722266
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1cccc2c1[C@H](N)CO2
InChIInChI=1S/C10H11NO3/c1-13-10(12)6-3-2-4-8-9(6)7(11)5-14-8/h2-4,7H,5,11H2,1H3/t7-/m1/s1
InChIKeyRPIKZDNLPCMRSG-SSDOTTSWSA-N
XLogP0.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
methyl (4R)-4-amino-3,4-dihydro-1H-isochromene-8-carboxylate
CID 131534145
methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390
methyl 2-(9H-xanthen-9-yl)benzoate
CID 19816670
methyl 1,4-benzodioxine-5-carboxylate
CID 15380893
methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
CID 19028093
methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 154145371
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
CID 130665432
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate
CID 146014124
methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate
CID 116646662

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate?
The IUPAC name of methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate (CID 130722266) is methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate.
What is the SMILES notation for methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate?
The canonical SMILES for methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate is COC(=O)c1cccc2c1[C@H](N)CO2.
What is the InChIKey of methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate?
The InChIKey is RPIKZDNLPCMRSG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-10(12)6-3-2-4-8-9(6)7(11)5-14-8/h2-4,7H,5,11H2,1H3/t7-/m1/s1.
What are the key properties of methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate?
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate is sourced from PubChem (CID 130722266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).