(2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate

C16H20N2O5 — CID 13117400

IUPAC(2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
SMILESCCCOC(=O)COC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C16H20N2O5/c1-2-5-22-15(20)9-23-16(21)13(17)6-10-8-18-14-4-3-11(19)7-12(10)14/h3-4,7-8,13,18-19H,2,5-6,9,17H2,1H3/t13-/m0/s1
InChIKeySIXGIXIGINHDBG-ZDUSSCGKSA-N
MW320.35 g/mol
LogP1.24
Rot. Bonds7

About (2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate

(2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate (PubChem CID 13117400) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
PubChem CID13117400
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name(2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
SMILESCCCOC(=O)COC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C16H20N2O5/c1-2-5-22-15(20)9-23-16(21)13(17)6-10-8-18-14-4-3-11(19)7-12(10)14/h3-4,7-8,13,18-19H,2,5-6,9,17H2,1H3/t13-/m0/s1
InChIKeySIXGIXIGINHDBG-ZDUSSCGKSA-N
XLogP1.24
TPSA114.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2-butoxy-2-oxoethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 13117392
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
CID 144798694
2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide
CID 19862462
ethyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 10890233
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072
tert-butyl 4-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]butanoate
CID 57160079
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate
CID 123770984
methyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 22669210

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate?
The IUPAC name of (2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate (CID 13117400) is (2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate.
What is the SMILES notation for (2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate?
The canonical SMILES for (2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate is CCCOC(=O)COC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of (2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate?
The InChIKey is SIXGIXIGINHDBG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-2-5-22-15(20)9-23-16(21)13(17)6-10-8-18-14-4-3-11(19)7-12(10)14/h3-4,7-8,13,18-19H,2,5-6,9,17H2,1H3/t13-/m0/s1.
What are the key properties of (2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate?
(2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate has a molecular weight of 320.35 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate is sourced from PubChem (CID 13117400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).