(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide

C13H18N4O — CID 83020765

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H18N4O/c1-17(2)16-13(18)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,7,14H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyWTTJORWBTWBPGX-NSHDSACASA-N
MW246.31 g/mol
LogP0.63
Rot. Bonds4

About (2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide

(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide (PubChem CID 83020765) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
PubChem CID83020765
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H18N4O/c1-17(2)16-13(18)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,7,14H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyWTTJORWBTWBPGX-NSHDSACASA-N
XLogP0.63
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 62642036
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 104910967
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 119958060
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 119957910
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide (CID 83020765) is (2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide is CN(C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide?
The InChIKey is WTTJORWBTWBPGX-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(2)16-13(18)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,7,14H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide?
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide has a molecular weight of 246.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 83020765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).