ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate

C14H18N2O3 — CID 103998748

IUPACethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N2O3/c1-3-19-14(18)9(2)16-13(17)10-4-5-11-7-15-8-12(11)6-10/h4-6,9,15H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyZVGPNLZRIHRARF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.97
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate

ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate (PubChem CID 103998748) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate
PubChem CID103998748
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N2O3/c1-3-19-14(18)9(2)16-13(17)10-4-5-11-7-15-8-12(11)6-10/h4-6,9,15H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyZVGPNLZRIHRARF-UHFFFAOYSA-N
XLogP0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998735
methyl (2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3-methylbutanoate
CID 103998348
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999059
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
ethyl 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)butanoate
CID 103999025
ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)propanoate
CID 61342767
N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999224
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998097
1-(2,3-dihydro-1H-isoindol-5-yl)-2-methylpentan-1-one
CID 107890429
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate?
The IUPAC name of ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate (CID 103998748) is ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate is CCOC(=O)C(C)NC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate?
The InChIKey is ZVGPNLZRIHRARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-19-14(18)9(2)16-13(17)10-4-5-11-7-15-8-12(11)6-10/h4-6,9,15H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate?
ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate has a molecular weight of 262.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate is sourced from PubChem (CID 103998748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).