amino 2-hydrazinyl-3-phenylpropanoate

C9H13N3O2 — CID 163606408

IUPACamino 2-hydrazinyl-3-phenylpropanoate
SMILESNNC(Cc1ccccc1)C(=O)ON
InChIInChI=1S/C9H13N3O2/c10-12-8(9(13)14-11)6-7-4-2-1-3-5-7/h1-5,8,12H,6,10-11H2
InChIKeyHCELUSUERLIHAD-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.52
Rot. Bonds4

About amino 2-hydrazinyl-3-phenylpropanoate

amino 2-hydrazinyl-3-phenylpropanoate (PubChem CID 163606408) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is amino 2-hydrazinyl-3-phenylpropanoate.

Molecular Properties

Compound Nameamino 2-hydrazinyl-3-phenylpropanoate
PubChem CID163606408
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameamino 2-hydrazinyl-3-phenylpropanoate
SMILESNNC(Cc1ccccc1)C(=O)ON
InChIInChI=1S/C9H13N3O2/c10-12-8(9(13)14-11)6-7-4-2-1-3-5-7/h1-5,8,12H,6,10-11H2
InChIKeyHCELUSUERLIHAD-UHFFFAOYSA-N
XLogP-0.52
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635
amino (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 174627656
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
methyl 2-methyl-3-phenylpropanoate
CID 11105919
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
amino 2-benzyl-3-oxobutanoate;hydrochloride
CID 174272636
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid
CID 87459321
(2S)-2-aminooxy-3-phenylpropanoic acid
CID 15582761
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135

Frequently Asked Questions

What is the IUPAC name of amino 2-hydrazinyl-3-phenylpropanoate?
The IUPAC name of amino 2-hydrazinyl-3-phenylpropanoate (CID 163606408) is amino 2-hydrazinyl-3-phenylpropanoate.
What is the SMILES notation for amino 2-hydrazinyl-3-phenylpropanoate?
The canonical SMILES for amino 2-hydrazinyl-3-phenylpropanoate is NNC(Cc1ccccc1)C(=O)ON.
What is the InChIKey of amino 2-hydrazinyl-3-phenylpropanoate?
The InChIKey is HCELUSUERLIHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-12-8(9(13)14-11)6-7-4-2-1-3-5-7/h1-5,8,12H,6,10-11H2.
What are the key properties of amino 2-hydrazinyl-3-phenylpropanoate?
amino 2-hydrazinyl-3-phenylpropanoate has a molecular weight of 195.22 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-hydrazinyl-3-phenylpropanoate is sourced from PubChem (CID 163606408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).