(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid

C14H19FN2O5S — CID 119368464

IUPAC(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H19FN2O5S/c1-9(2)13(14(19)20)17-12(18)7-8-16-23(21,22)11-5-3-10(15)4-6-11/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyNANGFCHOPADEGB-CYBMUJFWSA-N
MW346.38 g/mol
LogP0.72
Rot. Bonds8

About (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid

(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid (PubChem CID 119368464) has the molecular formula C14H19FN2O5S and a molecular weight of 346.38 g/mol. Its IUPAC name is (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
PubChem CID119368464
Molecular FormulaC14H19FN2O5S
Molecular Weight346.38 g/mol
Exact Mass346.10
IUPAC Name(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H19FN2O5S/c1-9(2)13(14(19)20)17-12(18)7-8-16-23(21,22)11-5-3-10(15)4-6-11/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyNANGFCHOPADEGB-CYBMUJFWSA-N
XLogP0.72
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic 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-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297
(2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119369658
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 17192279
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide
CID 97255673
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55502156

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid (CID 119368464) is (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid?
The InChIKey is NANGFCHOPADEGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19FN2O5S/c1-9(2)13(14(19)20)17-12(18)7-8-16-23(21,22)11-5-3-10(15)4-6-11/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid?
(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid has a molecular weight of 346.38 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 119368464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).