methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate

C13H16N2O3 — CID 60780386

IUPACmethyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18-2)15-12(16)10-3-4-11-9(7-10)5-6-14-11/h3-4,7-8,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyQGMRJCASXOTSCB-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.95
Rot. Bonds3

About methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate

methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate (PubChem CID 60780386) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
PubChem CID60780386
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18-2)15-12(16)10-3-4-11-9(7-10)5-6-14-11/h3-4,7-8,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyQGMRJCASXOTSCB-UHFFFAOYSA-N
XLogP0.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014
N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938314
N-[(1R)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81385612
N-ethoxy-2,3-dihydro-1H-indole-5-carboxamide
CID 64974739
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43534403
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 104938337
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81374595
(2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 61161325
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106161572

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate (CID 60780386) is methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate is COC(=O)C(C)NC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate?
The InChIKey is QGMRJCASXOTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(13(17)18-2)15-12(16)10-3-4-11-9(7-10)5-6-14-11/h3-4,7-8,14H,5-6H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate?
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate has a molecular weight of 248.28 g/mol, XLogP of 0.95, 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-indole-5-carbonylamino)propanoate is sourced from PubChem (CID 60780386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).