methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate

C13H14N2O3 — CID 71918006

IUPACmethyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H14N2O3/c1-8(13(17)18-2)15-12(16)10-3-4-11-9(7-10)5-6-14-11/h3-8,14H,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyGTTMOYSOGVUXQG-MRVPVSSYSA-N
MW246.27 g/mol
LogP1.46
Rot. Bonds3

About methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate

methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate (PubChem CID 71918006) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
PubChem CID71918006
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H14N2O3/c1-8(13(17)18-2)15-12(16)10-3-4-11-9(7-10)5-6-14-11/h3-8,14H,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyGTTMOYSOGVUXQG-MRVPVSSYSA-N
XLogP1.46
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
(2S,3R)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381849
(2R,3S)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381852
(2S,3S)-2-(1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 7096551
(2S)-2-(1H-indole-5-carbonylamino)-4-methylpentanoate
CID 7095205
methyl (2S)-2-[3-(1H-indol-5-yl)propanoylamino]propanoate
CID 84598942
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
N-pent-4-en-2-yl-1H-indole-5-carboxamide
CID 113237404
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
(2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one
CID 97056556
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate?
The IUPAC name of methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate (CID 71918006) is methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate?
The canonical SMILES for methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate is COC(=O)[C@@H](C)NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate?
The InChIKey is GTTMOYSOGVUXQG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(13(17)18-2)15-12(16)10-3-4-11-9(7-10)5-6-14-11/h3-8,14H,1-2H3,(H,15,16)/t8-/m1/s1.
What are the key properties of methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate?
methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate has a molecular weight of 246.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate is sourced from PubChem (CID 71918006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).