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

C10H14N4O2 — CID 71409434

IUPAC(2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid
SMILESNN/C=N/c1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C10H14N4O2/c11-9(10(15)16)5-7-1-3-8(4-2-7)13-6-14-12/h1-4,6,9H,5,11-12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyCJZYIAVSOVFMRU-VIFPVBQESA-N
MW222.25 g/mol
LogP-0.24
Rot. Bonds5

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

(2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid (PubChem CID 71409434) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid
PubChem CID71409434
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid
SMILESNN/C=N/c1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C10H14N4O2/c11-9(10(15)16)5-7-1-3-8(4-2-7)13-6-14-12/h1-4,6,9H,5,11-12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyCJZYIAVSOVFMRU-VIFPVBQESA-N
XLogP-0.24
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride
CID 73014170
2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid
CID 23653351
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 67057392
(2S)-2-amino-3-[4-(2-amino-2-oxoethyl)phenyl]propanoic acid
CID 169025021
2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 77218984
(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-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid
CID 170656104
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid (CID 71409434) is (2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid is NN/C=N/c1ccc(C[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid?
The InChIKey is CJZYIAVSOVFMRU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N4O2/c11-9(10(15)16)5-7-1-3-8(4-2-7)13-6-14-12/h1-4,6,9H,5,11-12H2,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid has a molecular weight of 222.25 g/mol, XLogP of -0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid is sourced from PubChem (CID 71409434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).