methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate

C13H14N2O4 — CID 103957814

IUPACmethyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
SMILESCOC(=O)C(O)CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H14N2O4/c1-19-13(18)11(16)7-15-12(17)9-3-2-4-10-8(9)5-6-14-10/h2-6,11,14,16H,7H2,1H3,(H,15,17)
InChIKeyRFFXGDPTHKOOSP-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.43
Rot. Bonds4

About methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate

methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate (PubChem CID 103957814) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
PubChem CID103957814
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Namemethyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
SMILESCOC(=O)C(O)CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H14N2O4/c1-19-13(18)11(16)7-15-12(17)9-3-2-4-10-8(9)5-6-14-10/h2-6,11,14,16H,7H2,1H3,(H,15,17)
InChIKeyRFFXGDPTHKOOSP-UHFFFAOYSA-N
XLogP0.43
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
N-(2,2-diethoxyethyl)-1H-indole-4-carboxamide
CID 79548414
N-(3-ethyl-2-hydroxypentyl)-1H-indole-4-carboxamide
CID 103723441
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide
CID 63960321
1H-indole-4-carbohydrazide
CID 43316644
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide
CID 115672235
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate (CID 103957814) is methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate is COC(=O)C(O)CNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate?
The InChIKey is RFFXGDPTHKOOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-19-13(18)11(16)7-15-12(17)9-3-2-4-10-8(9)5-6-14-10/h2-6,11,14,16H,7H2,1H3,(H,15,17).
What are the key properties of methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate?
methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate has a molecular weight of 262.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate is sourced from PubChem (CID 103957814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).