2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide

C10H13N3O4 — CID 137255353

IUPAC2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide
SMILESNC(CO)C(=O)N/N=C/c1cccc(O)c1O
InChIInChI=1S/C10H13N3O4/c11-7(5-14)10(17)13-12-4-6-2-1-3-8(15)9(6)16/h1-4,7,14-16H,5,11H2,(H,13,17)/b12-4+
InChIKeyMGOQKPKDGQYJGQ-UUILKARUSA-N
MW239.23 g/mol
LogP-1.13
Rot. Bonds4

About 2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide

2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide (PubChem CID 137255353) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide
PubChem CID137255353
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide
SMILESNC(CO)C(=O)N/N=C/c1cccc(O)c1O
InChIInChI=1S/C10H13N3O4/c11-7(5-14)10(17)13-12-4-6-2-1-3-8(15)9(6)16/h1-4,7,14-16H,5,11H2,(H,13,17)/b12-4+
InChIKeyMGOQKPKDGQYJGQ-UUILKARUSA-N
XLogP-1.13
TPSA128.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-hydroxy-N-[(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 870531
2-amino-3-hydroxy-N-[(Z)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 136987961
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide
CID 170329040
2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 177413584
(2S)-2-amino-3-hydroxy-N-[(E)-(3-hydroxy-2,4-dimethoxyphenyl)methylideneamino]propanamide
CID 166986656
2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 136736930
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
2-amino-3-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide
CID 166986771
2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 135493662
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
CID 135421615

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide (CID 137255353) is 2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide is NC(CO)C(=O)N/N=C/c1cccc(O)c1O.
What is the InChIKey of 2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide?
The InChIKey is MGOQKPKDGQYJGQ-UUILKARUSA-N. The full InChI is InChI=1S/C10H13N3O4/c11-7(5-14)10(17)13-12-4-6-2-1-3-8(15)9(6)16/h1-4,7,14-16H,5,11H2,(H,13,17)/b12-4+.
What are the key properties of 2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide?
2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide has a molecular weight of 239.23 g/mol, XLogP of -1.13, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide is sourced from PubChem (CID 137255353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).