(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide

C16H23N3O2 — CID 64550351

IUPAC(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCCC(C)(CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O2/c1-3-16(2,10-20)19-15(21)13(17)8-11-9-18-14-7-5-4-6-12(11)14/h4-7,9,13,18,20H,3,8,10,17H2,1-2H3,(H,19,21)/t13-,16?/m0/s1
InChIKeyVCCHJXJPXFGVAP-KNVGNIICSA-N
MW289.38 g/mol
LogP1.31
Rot. Bonds6

About (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide

(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 64550351) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID64550351
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCCC(C)(CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O2/c1-3-16(2,10-20)19-15(21)13(17)8-11-9-18-14-7-5-4-6-12(11)14/h4-7,9,13,18,20H,3,8,10,17H2,1-2H3,(H,19,21)/t13-,16?/m0/s1
InChIKeyVCCHJXJPXFGVAP-KNVGNIICSA-N
XLogP1.31
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoate
CID 169008228
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide
CID 114350846
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 103827503
(2S)-2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1H-indol-3-yl)propanamide
CID 119956154
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 114350867
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide (CID 64550351) is (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide is CCC(C)(CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is VCCHJXJPXFGVAP-KNVGNIICSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-16(2,10-20)19-15(21)13(17)8-11-9-18-14-7-5-4-6-12(11)14/h4-7,9,13,18,20H,3,8,10,17H2,1-2H3,(H,19,21)/t13-,16?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 64550351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).