2-hydrazinyl-3-phenylbutanoic acid

C10H14N2O2 — CID 55280832

IUPAC2-hydrazinyl-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(NN)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7(9(12-11)10(13)14)8-5-3-2-4-6-8/h2-7,9,12H,11H2,1H3,(H,13,14)
InChIKeyVBPFHVZEOWCZOV-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.71
Rot. Bonds4

About 2-hydrazinyl-3-phenylbutanoic acid

2-hydrazinyl-3-phenylbutanoic acid (PubChem CID 55280832) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-hydrazinyl-3-phenylbutanoic acid.

Molecular Properties

Compound Name2-hydrazinyl-3-phenylbutanoic acid
PubChem CID55280832
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-hydrazinyl-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(NN)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7(9(12-11)10(13)14)8-5-3-2-4-6-8/h2-7,9,12H,11H2,1H3,(H,13,14)
InChIKeyVBPFHVZEOWCZOV-UHFFFAOYSA-N
XLogP0.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-acetamido-3-phenylbutanoic acid
CID 14036079
(2S)-2-benzamido-3-phenylbutanoic acid
CID 18652423
(2S)-2-[[(2S)-2-hydroxypropanoyl]amino]-3-phenylbutanoic acid
CID 176961834
(2S)-2-(benzylamino)-3-phenylbutanoic acid
CID 141046976
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
2-(4-fluoroanilino)-3-phenylbutanoic acid
CID 61305744
2-methyl-3-phenylbutanoic acid
CID 29759
1-hydrazinyl-1-phenylpropan-2-ol
CID 55279644
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
2-(aminomethyl)-3-phenylbutanoic acid
CID 69267267
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
N,N-dimethyl-2-(methylamino)-3-phenylbutanamide
CID 16748884

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-3-phenylbutanoic acid?
The IUPAC name of 2-hydrazinyl-3-phenylbutanoic acid (CID 55280832) is 2-hydrazinyl-3-phenylbutanoic acid.
What is the SMILES notation for 2-hydrazinyl-3-phenylbutanoic acid?
The canonical SMILES for 2-hydrazinyl-3-phenylbutanoic acid is CC(c1ccccc1)C(NN)C(=O)O.
What is the InChIKey of 2-hydrazinyl-3-phenylbutanoic acid?
The InChIKey is VBPFHVZEOWCZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(9(12-11)10(13)14)8-5-3-2-4-6-8/h2-7,9,12H,11H2,1H3,(H,13,14).
What are the key properties of 2-hydrazinyl-3-phenylbutanoic acid?
2-hydrazinyl-3-phenylbutanoic acid has a molecular weight of 194.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-phenylbutanoic acid is sourced from PubChem (CID 55280832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).