methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate

C12H14N2O3 — CID 14288547

IUPACmethyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
SMILESCOC(=O)C(N)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C12H14N2O3/c1-17-12(16)10(13)4-7-6-14-11-3-2-8(15)5-9(7)11/h2-3,5-6,10,14-15H,4,13H2,1H3
InChIKeyQOBUNYVBTXFCEZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.92
Rot. Bonds3

About methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate

methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate (PubChem CID 14288547) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
PubChem CID14288547
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Namemethyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
SMILESCOC(=O)C(N)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C12H14N2O3/c1-17-12(16)10(13)4-7-6-14-11-3-2-8(15)5-9(7)11/h2-3,5-6,10,14-15H,4,13H2,1H3
InChIKeyQOBUNYVBTXFCEZ-UHFFFAOYSA-N
XLogP0.92
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 22669210
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
CID 144798694
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-(methylamino)propanoate;hydrochloride
CID 69317062
2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide
CID 19862462
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate
CID 123770984
(2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 13117400
methyl 2-amino-3-(5,6-difluoro-1H-indol-3-yl)propanoate
CID 166609513
(2-butoxy-2-oxoethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 13117392
methyl (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 11099560
methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
CID 20768833

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate (CID 14288547) is methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate is COC(=O)C(N)Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate?
The InChIKey is QOBUNYVBTXFCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-12(16)10(13)4-7-6-14-11-3-2-8(15)5-9(7)11/h2-3,5-6,10,14-15H,4,13H2,1H3.
What are the key properties of methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate?
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate has a molecular weight of 234.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate is sourced from PubChem (CID 14288547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).