(2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid

C11H16N2O2 — CID 69047916

IUPAC(2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid
SMILESC[C@H](NNCCc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-9(11(14)15)13-12-8-7-10-5-3-2-4-6-10/h2-6,9,12-13H,7-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyKFCCNWUVVLKGHX-VIFPVBQESA-N
MW208.26 g/mol
LogP0.80
Rot. Bonds6

About (2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid

(2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid (PubChem CID 69047916) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid
PubChem CID69047916
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid
SMILESC[C@H](NNCCc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-9(11(14)15)13-12-8-7-10-5-3-2-4-6-10/h2-6,9,12-13H,7-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyKFCCNWUVVLKGHX-VIFPVBQESA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mebanazine oxalate
CID 16472
Amfetamine DL-aspartate
CID 22382900
2-(Phenylethylhydrazono)propionic acid
CID 9578274
Hydrazine, (alpha-methylphenethyl)-, oxalate (1:1)
CID 15622
Hydrazine, (3-phenylpropyl)-, ethanedioate (1:1)
CID 18808
Hydrazine, (1-methyl-3-phenylpropyl)-, ethanedioate (1:1)
CID 28621
Hydrazine, (1-methyl-5-phenylpentyl)-, oxalate (1:1)
CID 28623
Oxalic acid--(1-phenylpropyl)hydrazine (1/1)
CID 53245
Oxalic acid, hydrazide 2-(alpha-methylphenethyl)hydrazide
CID 57118
N'~1~-(1-Phenylpropan-2-yl)-N'~2~-(propan-2-yl)ethanedihydrazide
CID 57177
3-(2-Benzylhydrazinyl)-2,2-dimethylpropanoic acid--hydrogen chloride (1/1)
CID 102353
Amfetamine DL-aspartate monohydrate
CID 22382901

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid?
The IUPAC name of (2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid (CID 69047916) is (2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid?
The canonical SMILES for (2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid is C[C@H](NNCCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid?
The InChIKey is KFCCNWUVVLKGHX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(11(14)15)13-12-8-7-10-5-3-2-4-6-10/h2-6,9,12-13H,7-8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid?
(2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid is sourced from PubChem (CID 69047916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).