2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid

C10H15N3O2 — CID 23653351

IUPAC2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid
SMILESNNCc1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C10H15N3O2/c11-9(10(14)15)5-7-1-3-8(4-2-7)6-13-12/h1-4,9,13H,5-6,11-12H2,(H,14,15)
InChIKeyWFBZEXPZSZKRMI-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.40
Rot. Bonds5

About 2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid

2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid (PubChem CID 23653351) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid
PubChem CID23653351
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid
SMILESNNCc1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C10H15N3O2/c11-9(10(14)15)5-7-1-3-8(4-2-7)6-13-12/h1-4,9,13H,5-6,11-12H2,(H,14,15)
InChIKeyWFBZEXPZSZKRMI-UHFFFAOYSA-N
XLogP-0.40
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[4-[(propan-2-ylamino)methyl]phenyl]propanoic acid
CID 46936944
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-[4-(benzylamino)phenyl]propanoic acid
CID 59773787
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[4-[deuterio(fluoro)methyl]phenyl]propanoic acid
CID 139665343
(2S)-2-amino-3-[4-[(3-methylbutanoylamino)methyl]phenyl]propanoic acid
CID 58987527
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid (CID 23653351) is 2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid is NNCc1ccc(CC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid?
The InChIKey is WFBZEXPZSZKRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-9(10(14)15)5-7-1-3-8(4-2-7)6-13-12/h1-4,9,13H,5-6,11-12H2,(H,14,15).
What are the key properties of 2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid?
2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid is sourced from PubChem (CID 23653351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).