2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid

C9H13N3O3 — CID 87228291

IUPAC2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid
SMILESNc1ccccc1CC(C(=O)O)N(N)O
InChIInChI=1S/C9H13N3O3/c10-7-4-2-1-3-6(7)5-8(9(13)14)12(11)15/h1-4,8,15H,5,10-11H2,(H,13,14)
InChIKeyANULKGNUJQCQGI-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.17
Rot. Bonds4

About 2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid

2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid (PubChem CID 87228291) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid.

Molecular Properties

Compound Name2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid
PubChem CID87228291
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid
SMILESNc1ccccc1CC(C(=O)O)N(N)O
InChIInChI=1S/C9H13N3O3/c10-7-4-2-1-3-6(7)5-8(9(13)14)12(11)15/h1-4,8,15H,5,10-11H2,(H,13,14)
InChIKeyANULKGNUJQCQGI-UHFFFAOYSA-N
XLogP-0.17
TPSA112.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methyl-propanoylamino]butanoic acid
CID 175596185
2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid
CID 83041260
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
CID 160513351
CID 160513351
2-(2-aminophenyl)-N,N-diphenylacetamide
CID 156705003
(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid
CID 174662660
(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid
CID 98822926
2-(2-aminophenyl)acetyl bromide;hydrobromide
CID 71437218
(2S)-3-[3-(2-aminophenyl)propanoylamino]-2-hydroxypropanoic acid
CID 107835782
benzene-1,2-diamine;carbonic acid
CID 22256139
3,5-diamino-4-[(2-aminophenyl)methyl]benzoic acid
CID 151921237

Frequently Asked Questions

What is the IUPAC name of 2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid?
The IUPAC name of 2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid (CID 87228291) is 2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid.
What is the SMILES notation for 2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid?
The canonical SMILES for 2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid is Nc1ccccc1CC(C(=O)O)N(N)O.
What is the InChIKey of 2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid?
The InChIKey is ANULKGNUJQCQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-7-4-2-1-3-6(7)5-8(9(13)14)12(11)15/h1-4,8,15H,5,10-11H2,(H,13,14).
What are the key properties of 2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid?
2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid is sourced from PubChem (CID 87228291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).