2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride

C12H16ClN3O4 — CID 22034703

IUPAC2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride
SMILESCl.NC(=O)C(CO)NC(=O)/C=C/c1cc(N)ccc1O
InChIInChI=1S/C12H15N3O4.ClH/c13-8-2-3-10(17)7(5-8)1-4-11(18)15-9(6-16)12(14)19;/h1-5,9,16-17H,6,13H2,(H2,14,19)(H,15,18);1H/b4-1+;
InChIKeyXNZNYRWRDUBJGM-DYVSEJHDSA-N
MW301.73 g/mol
LogP-0.63
Rot. Bonds5

About 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride

2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride (PubChem CID 22034703) has the molecular formula C12H16ClN3O4 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride
PubChem CID22034703
Molecular FormulaC12H16ClN3O4
Molecular Weight301.73 g/mol
Exact Mass301.08
IUPAC Name2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride
SMILESCl.NC(=O)C(CO)NC(=O)/C=C/c1cc(N)ccc1O
InChIInChI=1S/C12H15N3O4.ClH/c13-8-2-3-10(17)7(5-8)1-4-11(18)15-9(6-16)12(14)19;/h1-5,9,16-17H,6,13H2,(H2,14,19)(H,15,18);1H/b4-1+;
InChIKeyXNZNYRWRDUBJGM-DYVSEJHDSA-N
XLogP-0.63
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;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

Hydroxyethylaminomethyl-p-aminophenol hydrochloride
CID 71587489
O-Desmethyl-o-hydroxylacosamide
CID 156596912
5-Aminosalicyluric acid
CID 10353049
dichloro-(4-hydroxy-3-(methyleneiminodiacetic acid)phenyl-(2',3'-diaminopropionamide))platinum(II)
CID 163836
Alanine, N-(5-nitro-salicyloyl)-
CID 3026337
N-[(5-amino-2-hydroxyphenyl)methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205579
N-[(5-amino-2-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205581
2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride
CID 120992183
2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 120992184
4-[(2-Hydroxy-5-nitrobenzyl)amino]isoxazolidin-3-one
CID 541549
(E)-3-(5-amino-2-hydroxyphenyl)-N-ethylprop-2-enamide
CID 12067435
(E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide
CID 12067439

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride?
The IUPAC name of 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride (CID 22034703) is 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride.
What is the SMILES notation for 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride?
The canonical SMILES for 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride is Cl.NC(=O)C(CO)NC(=O)/C=C/c1cc(N)ccc1O.
What is the InChIKey of 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride?
The InChIKey is XNZNYRWRDUBJGM-DYVSEJHDSA-N. The full InChI is InChI=1S/C12H15N3O4.ClH/c13-8-2-3-10(17)7(5-8)1-4-11(18)15-9(6-16)12(14)19;/h1-5,9,16-17H,6,13H2,(H2,14,19)(H,15,18);1H/b4-1+;.
What are the key properties of 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride?
2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride has a molecular weight of 301.73 g/mol, XLogP of -0.63, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride is sourced from PubChem (CID 22034703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).