2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide

C13H17N3O2 — CID 19862462

IUPAC2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide
SMILESCCNC(=O)C(N)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H17N3O2/c1-2-15-13(18)11(14)5-8-7-16-12-4-3-9(17)6-10(8)12/h3-4,6-7,11,16-17H,2,5,14H2,1H3,(H,15,18)
InChIKeyKXFXHIBVMOEEKO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.88
Rot. Bonds4

About 2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide

2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide (PubChem CID 19862462) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide
PubChem CID19862462
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide
SMILESCCNC(=O)C(N)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H17N3O2/c1-2-15-13(18)11(14)5-8-7-16-12-4-3-9(17)6-10(8)12/h3-4,6-7,11,16-17H,2,5,14H2,1H3,(H,15,18)
InChIKeyKXFXHIBVMOEEKO-UHFFFAOYSA-N
XLogP0.88
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
CID 144798694
tert-butyl 4-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]butanoate
CID 57160079
2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11218575
3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide
CID 166672970
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072
(2-oxo-2-propoxyethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 13117400
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956120
(2-butoxy-2-oxoethyl) (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 13117392
2-[[2-amino-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 78069026
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide (CID 19862462) is 2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide is CCNC(=O)C(N)Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide?
The InChIKey is KXFXHIBVMOEEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-15-13(18)11(14)5-8-7-16-12-4-3-9(17)6-10(8)12/h3-4,6-7,11,16-17H,2,5,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide?
2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide is sourced from PubChem (CID 19862462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).