(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride

C13H15ClN2O2 — CID 46179715

IUPAC(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccc(O)c2ccccc12.Cl
InChIInChI=1S/C13H14N2O2.ClH/c1-8(14)13(17)15-11-6-7-12(16)10-5-3-2-4-9(10)11;/h2-8,16H,14H2,1H3,(H,15,17);1H/t8-;/m0./s1
InChIKeyFTZFXPUNJLFDDP-QRPNPIFTSA-N
MW266.73 g/mol
LogP2.25
Rot. Bonds2

About (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride

(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride (PubChem CID 46179715) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride
PubChem CID46179715
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccc(O)c2ccccc12.Cl
InChIInChI=1S/C13H14N2O2.ClH/c1-8(14)13(17)15-11-6-7-12(16)10-5-3-2-4-9(10)11;/h2-8,16H,14H2,1H3,(H,15,17);1H/t8-;/m0./s1
InChIKeyFTZFXPUNJLFDDP-QRPNPIFTSA-N
XLogP2.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
CID 61180078
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-amino-N-(2-hydroxy-5-methylphenyl)propanamide;hydrochloride
CID 159728581
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 62726815
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride (CID 46179715) is (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride is C[C@H](N)C(=O)Nc1ccc(O)c2ccccc12.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride?
The InChIKey is FTZFXPUNJLFDDP-QRPNPIFTSA-N. The full InChI is InChI=1S/C13H14N2O2.ClH/c1-8(14)13(17)15-11-6-7-12(16)10-5-3-2-4-9(10)11;/h2-8,16H,14H2,1H3,(H,15,17);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 46179715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).