(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride

C9H14ClN3O — CID 131153716

IUPAC(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C9H13N3O.ClH/c1-6(10)9(13)12-8-5-3-2-4-7(8)11;/h2-6H,10-11H2,1H3,(H,12,13);1H/t6-;/m1./s1
InChIKeyPZTANTHWSHFUCZ-FYZOBXCZSA-N
MW215.68 g/mol
LogP0.98
Rot. Bonds2

About (2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride

(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride (PubChem CID 131153716) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
PubChem CID131153716
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C9H13N3O.ClH/c1-6(10)9(13)12-8-5-3-2-4-7(8)11;/h2-6H,10-11H2,1H3,(H,12,13);1H/t6-;/m1./s1
InChIKeyPZTANTHWSHFUCZ-FYZOBXCZSA-N
XLogP0.98
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
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2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
(2S)-2-amino-N-(2-bromophenyl)propanamide
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(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
(2R)-2-amino-N-[2-(methanesulfonamido)phenyl]propanamide;hydrochloride
CID 119278967
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
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2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride (CID 131153716) is (2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride is C[C@@H](N)C(=O)Nc1ccccc1N.Cl.
What is the InChIKey of (2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride?
The InChIKey is PZTANTHWSHFUCZ-FYZOBXCZSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c1-6(10)9(13)12-8-5-3-2-4-7(8)11;/h2-6H,10-11H2,1H3,(H,12,13);1H/t6-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride?
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride is sourced from PubChem (CID 131153716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).