methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate

C15H19NO4 — CID 97315904

IUPACmethyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate
SMILESCC[C@@](C)(NC(=O)[C@H]1Cc2ccccc2O1)C(=O)OC
InChIInChI=1S/C15H19NO4/c1-4-15(2,14(18)19-3)16-13(17)12-9-10-7-5-6-8-11(10)20-12/h5-8,12H,4,9H2,1-3H3,(H,16,17)/t12-,15-/m1/s1
InChIKeyDCYWEANWZFMUBT-IUODEOHRSA-N
MW277.32 g/mol
LogP1.45
Rot. Bonds4

About methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate

methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate (PubChem CID 97315904) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate
PubChem CID97315904
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate
SMILESCC[C@@](C)(NC(=O)[C@H]1Cc2ccccc2O1)C(=O)OC
InChIInChI=1S/C15H19NO4/c1-4-15(2,14(18)19-3)16-13(17)12-9-10-7-5-6-8-11(10)20-12/h5-8,12H,4,9H2,1-3H3,(H,16,17)/t12-,15-/m1/s1
InChIKeyDCYWEANWZFMUBT-IUODEOHRSA-N
XLogP1.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate with MolForge

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Related Compounds

methyl (2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylpentanoate
CID 93045753
methyl 2-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylpropanoate
CID 30886866
N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61120374
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61125933
(2R,3S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-methylpentanoic acid
CID 124838129
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
(2R)-2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926570
N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114149349
N'-ethyl-N'-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 51238799
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate?
The IUPAC name of methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate (CID 97315904) is methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate is CC[C@@](C)(NC(=O)[C@H]1Cc2ccccc2O1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate?
The InChIKey is DCYWEANWZFMUBT-IUODEOHRSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-15(2,14(18)19-3)16-13(17)12-9-10-7-5-6-8-11(10)20-12/h5-8,12H,4,9H2,1-3H3,(H,16,17)/t12-,15-/m1/s1.
What are the key properties of methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate?
methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate has a molecular weight of 277.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate is sourced from PubChem (CID 97315904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).