propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate

C17H24ClNO3 — CID 51926264

IUPACpropan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate
SMILESCC(C)CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl
InChIInChI=1S/C17H24ClNO3/c1-11(2)9-16(20)19-15(10-17(21)22-12(3)4)13-7-5-6-8-14(13)18/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyNOXYGKDMQMOWSU-OAHLLOKOSA-N
MW325.84 g/mol
LogP3.89
Rot. Bonds7

About propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate

propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate (PubChem CID 51926264) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate
PubChem CID51926264
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Namepropan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate
SMILESCC(C)CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl
InChIInChI=1S/C17H24ClNO3/c1-11(2)9-16(20)19-15(10-17(21)22-12(3)4)13-7-5-6-8-14(13)18/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyNOXYGKDMQMOWSU-OAHLLOKOSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate 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

propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate
CID 24516297
propan-2-yl 3-[(3-acetamido-3-phenylpropanoyl)amino]-3-(2-chlorophenyl)propanoate
CID 24516279
propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate
CID 24603772
propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate
CID 24554392
propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate
CID 16574612
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
propan-2-yl 3-(2-chlorophenyl)-3-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoate
CID 43038135
propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 18274407
propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate
CID 24575025
propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate
CID 24590698
propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 18287238
propan-2-yl 3-(2-chlorophenyl)-3-[[3-(ethylsulfonylamino)benzoyl]amino]propanoate
CID 24672222

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate?
The IUPAC name of propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate (CID 51926264) is propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate.
What is the SMILES notation for propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate?
The canonical SMILES for propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate is CC(C)CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl.
What is the InChIKey of propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate?
The InChIKey is NOXYGKDMQMOWSU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-11(2)9-16(20)19-15(10-17(21)22-12(3)4)13-7-5-6-8-14(13)18/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,20)/t15-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate?
propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate has a molecular weight of 325.84 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate is sourced from PubChem (CID 51926264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).