(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride

C12H16ClN3O — CID 119278221

IUPAC(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc2[nH]ccc2c1.Cl
InChIInChI=1S/C12H15N3O.ClH/c1-2-10(13)12(16)15-9-3-4-11-8(7-9)5-6-14-11;/h3-7,10,14H,2,13H2,1H3,(H,15,16);1H/t10-;/m0./s1
InChIKeyOOPXKBALEFECIE-PPHPATTJSA-N
MW253.73 g/mol
LogP2.27
Rot. Bonds3

About (2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride

(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride (PubChem CID 119278221) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
PubChem CID119278221
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc2[nH]ccc2c1.Cl
InChIInChI=1S/C12H15N3O.ClH/c1-2-10(13)12(16)15-9-3-4-11-8(7-9)5-6-14-11;/h3-7,10,14H,2,13H2,1H3,(H,15,16);1H/t10-;/m0./s1
InChIKeyOOPXKBALEFECIE-PPHPATTJSA-N
XLogP2.27
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 120984992
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(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
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2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide
CID 106151228
3-(1H-indol-5-ylamino)-2-methyl-3-oxopropanoic acid
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(2S)-2-amino-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79024217
2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide
CID 115432352
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
ethyl (2R,3S)-3-(1H-indol-5-ylcarbamoylamino)-2-methylbutanoate
CID 124625330
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
CID 119281097

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride (CID 119278221) is (2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride is CC[C@H](N)C(=O)Nc1ccc2[nH]ccc2c1.Cl.
What is the InChIKey of (2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride?
The InChIKey is OOPXKBALEFECIE-PPHPATTJSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/c1-2-10(13)12(16)15-9-3-4-11-8(7-9)5-6-14-11;/h3-7,10,14H,2,13H2,1H3,(H,15,16);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride?
(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119278221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).