(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid

C9H11FN2O2 — CID 174662660

IUPAC(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid
SMILESNN(F)[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11FN2O2/c10-12(11)8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1
InChIKeyKLIKLSAGWVTSSE-QMMMGPOBSA-N
MW198.20 g/mol
LogP0.74
Rot. Bonds4

About (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid

(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid (PubChem CID 174662660) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid
PubChem CID174662660
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid
SMILESNN(F)[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11FN2O2/c10-12(11)8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1
InChIKeyKLIKLSAGWVTSSE-QMMMGPOBSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
(2S)-2-[chloromethyl(methyl)amino]-3-phenylpropanoic acid
CID 54255696
CID 160513351
CID 160513351
(2S)-2-[bis(sulfanyl)amino]-3-phenylpropanoic acid
CID 88617748
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
(2S)-2-[bis(methylamino)amino]-3-phenylpropanoic acid
CID 156761837
2-[N-(aminomethyl)anilino]-3-phenylpropanoic acid
CID 70086779
2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid
CID 143862419
sodium 2-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 20524802
(2S)-2-(N-carboxyanilino)-3-phenylpropanoic acid
CID 151199694
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid (CID 174662660) is (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid is NN(F)[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid?
The InChIKey is KLIKLSAGWVTSSE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-12(11)8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid?
(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid has a molecular weight of 198.20 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 174662660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).