methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate

C14H18N2O3 — CID 103998421

IUPACmethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N2O3/c1-14(2,13(18)19-3)16-12(17)9-4-5-10-7-15-8-11(10)6-9/h4-6,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyCMAICLKDMGMSEX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.97
Rot. Bonds3

About methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate

methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate (PubChem CID 103998421) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate
PubChem CID103998421
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N2O3/c1-14(2,13(18)19-3)16-12(17)9-4-5-10-7-15-8-11(10)6-9/h4-6,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyCMAICLKDMGMSEX-UHFFFAOYSA-N
XLogP0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113450230
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690
(2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103870959
methyl (2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3-methylbutanoate
CID 103998348
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998673
N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489043
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate
CID 103998748
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate
CID 30886768
methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
CID 43423746
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998750

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate (CID 103998421) is methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate?
The InChIKey is CMAICLKDMGMSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,13(18)19-3)16-12(17)9-4-5-10-7-15-8-11(10)6-9/h4-6,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate?
methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate has a molecular weight of 262.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate is sourced from PubChem (CID 103998421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).