(3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid

C19H20FNO3 — CID 125415643

IUPAC(3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid
SMILESC[C@H](CC(=O)O)[C@@H](c1ccccc1)N(C=O)Cc1ccccc1F
InChIInChI=1S/C19H20FNO3/c1-14(11-18(23)24)19(15-7-3-2-4-8-15)21(13-22)12-16-9-5-6-10-17(16)20/h2-10,13-14,19H,11-12H2,1H3,(H,23,24)/t14-,19+/m1/s1
InChIKeyUSFXHMYLDPTJLO-KUHUBIRLSA-N
MW329.37 g/mol
LogP3.64
Rot. Bonds8

About (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid

(3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid (PubChem CID 125415643) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid.

Molecular Properties

Compound Name(3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid
PubChem CID125415643
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid
SMILESC[C@H](CC(=O)O)[C@@H](c1ccccc1)N(C=O)Cc1ccccc1F
InChIInChI=1S/C19H20FNO3/c1-14(11-18(23)24)19(15-7-3-2-4-8-15)21(13-22)12-16-9-5-6-10-17(16)20/h2-10,13-14,19H,11-12H2,1H3,(H,23,24)/t14-,19+/m1/s1
InChIKeyUSFXHMYLDPTJLO-KUHUBIRLSA-N
XLogP3.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic 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

N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
(2R)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010281
3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
CID 62827671
2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 24566119
2-(diethylamino)-N-[(2-fluorophenyl)methyl]-N-methyl-2-phenylacetamide
CID 56545318
3-[2-carboxyethyl-[(2-fluorophenyl)methyl]amino]-2-methylpropanoic acid
CID 82327787
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
3-[(2-fluorophenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042443
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid?
The IUPAC name of (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid (CID 125415643) is (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid.
What is the SMILES notation for (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid?
The canonical SMILES for (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid is C[C@H](CC(=O)O)[C@@H](c1ccccc1)N(C=O)Cc1ccccc1F.
What is the InChIKey of (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid?
The InChIKey is USFXHMYLDPTJLO-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-14(11-18(23)24)19(15-7-3-2-4-8-15)21(13-22)12-16-9-5-6-10-17(16)20/h2-10,13-14,19H,11-12H2,1H3,(H,23,24)/t14-,19+/m1/s1.
What are the key properties of (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid?
(3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid has a molecular weight of 329.37 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid is sourced from PubChem (CID 125415643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).