(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide

C15H19N3O — CID 104940105

IUPAC(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O/c1-10(2)8-18-15(19)13(16)7-11-9-17-14-6-4-3-5-12(11)14/h3-6,9,13,17H,1,7-8,16H2,2H3,(H,18,19)/t13-/m1/s1
InChIKeyGNQWXLANFMDHFP-CYBMUJFWSA-N
MW257.34 g/mol
LogP1.73
Rot. Bonds5

About (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide

(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide (PubChem CID 104940105) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
PubChem CID104940105
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O/c1-10(2)8-18-15(19)13(16)7-11-9-17-14-6-4-3-5-12(11)14/h3-6,9,13,17H,1,7-8,16H2,2H3,(H,18,19)/t13-/m1/s1
InChIKeyGNQWXLANFMDHFP-CYBMUJFWSA-N
XLogP1.73
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
(2S)-2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1H-indol-3-yl)propanamide
CID 119956154
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 19944990
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylsulfinylpropyl)propanamide
CID 103827627
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
CID 130443458

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide (CID 104940105) is (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide is C=C(C)CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is GNQWXLANFMDHFP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)8-18-15(19)13(16)7-11-9-17-14-6-4-3-5-12(11)14/h3-6,9,13,17H,1,7-8,16H2,2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide?
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 257.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 104940105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).