(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride

C13H18ClN3O — CID 119263369

IUPAC(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCCc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-9(14)13(17)15-7-6-10-8-16-12-5-3-2-4-11(10)12;/h2-5,8-9,16H,6-7,14H2,1H3,(H,15,17);1H/t9-;/m0./s1
InChIKeyQKWMWSAPGYWVJL-FVGYRXGTSA-N
MW267.76 g/mol
LogP1.60
Rot. Bonds4

About (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride

(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride (PubChem CID 119263369) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
PubChem CID119263369
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCCc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-9(14)13(17)15-7-6-10-8-16-12-5-3-2-4-11(10)12;/h2-5,8-9,16H,6-7,14H2,1H3,(H,15,17);1H/t9-;/m0./s1
InChIKeyQKWMWSAPGYWVJL-FVGYRXGTSA-N
XLogP1.60
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 163091654
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride (CID 119263369) is (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride is C[C@H](N)C(=O)NCCc1c[nH]c2ccccc12.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride?
The InChIKey is QKWMWSAPGYWVJL-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-9(14)13(17)15-7-6-10-8-16-12-5-3-2-4-11(10)12;/h2-5,8-9,16H,6-7,14H2,1H3,(H,15,17);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119263369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).