(2S)-2-amino-3-methylbutanoic acid;phenylhydrazine

C11H19N3O2 — CID 70169116

IUPAC(2S)-2-amino-3-methylbutanoic acid;phenylhydrazine
SMILESCC(C)[C@H](N)C(=O)O.NNc1ccccc1
InChIInChI=1S/C6H8N2.C5H11NO2/c7-8-6-4-2-1-3-5-6;1-3(2)4(6)5(7)8/h1-5,8H,7H2;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1
InChIKeyJFGSUNXTTLCOJO-VWMHFEHESA-N
MW225.29 g/mol
LogP1.03
Rot. Bonds3

About (2S)-2-amino-3-methylbutanoic acid;phenylhydrazine

(2S)-2-amino-3-methylbutanoic acid;phenylhydrazine (PubChem CID 70169116) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;phenylhydrazine.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;phenylhydrazine
PubChem CID70169116
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;phenylhydrazine
SMILESCC(C)[C@H](N)C(=O)O.NNc1ccccc1
InChIInChI=1S/C6H8N2.C5H11NO2/c7-8-6-4-2-1-3-5-6;1-3(2)4(6)5(7)8/h1-5,8H,7H2;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1
InChIKeyJFGSUNXTTLCOJO-VWMHFEHESA-N
XLogP1.03
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.03
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-methylbutanoic acid;N-propylaniline
CID 67669423
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2S)-2-amino-3-methylbutanoic acid;2-hydroxy-2-phenylacetic acid
CID 67781255
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
(2S)-2-amino-3-methylbutanoic acid;2-phenylacetic acid
CID 67721375
2-amino-3-methylbutanoic acid;benzenesulfonic acid
CID 162223719
(2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine
CID 67230654
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
silver 2-amino-3-methylbutanoic acid
CID 19021116
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;phenylhydrazine?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;phenylhydrazine (CID 70169116) is (2S)-2-amino-3-methylbutanoic acid;phenylhydrazine.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;phenylhydrazine?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;phenylhydrazine is CC(C)[C@H](N)C(=O)O.NNc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;phenylhydrazine?
The InChIKey is JFGSUNXTTLCOJO-VWMHFEHESA-N. The full InChI is InChI=1S/C6H8N2.C5H11NO2/c7-8-6-4-2-1-3-5-6;1-3(2)4(6)5(7)8/h1-5,8H,7H2;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;phenylhydrazine?
(2S)-2-amino-3-methylbutanoic acid;phenylhydrazine has a molecular weight of 225.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;phenylhydrazine is sourced from PubChem (CID 70169116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).