[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate

C20H29NO3 — CID 8954502

IUPAC[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
SMILESC[C@H](OC(=O)C(C)(C)c1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H29NO3/c1-15(18(22)21-17-13-9-4-5-10-14-17)24-19(23)20(2,3)16-11-7-6-8-12-16/h6-8,11-12,15,17H,4-5,9-10,13-14H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyCAXIYHNCMRXBFU-HNNXBMFYSA-N
MW331.46 g/mol
LogP3.73
Rot. Bonds5

About [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate (PubChem CID 8954502) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
PubChem CID8954502
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
SMILESC[C@H](OC(=O)C(C)(C)c1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H29NO3/c1-15(18(22)21-17-13-9-4-5-10-14-17)24-19(23)20(2,3)16-11-7-6-8-12-16/h6-8,11-12,15,17H,4-5,9-10,13-14H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyCAXIYHNCMRXBFU-HNNXBMFYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate 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

[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954590
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 8979821
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954401
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384132
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate (CID 8954502) is [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate is C[C@H](OC(=O)C(C)(C)c1ccccc1)C(=O)NC1CCCCCC1.
What is the InChIKey of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
The InChIKey is CAXIYHNCMRXBFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-15(18(22)21-17-13-9-4-5-10-14-17)24-19(23)20(2,3)16-11-7-6-8-12-16/h6-8,11-12,15,17H,4-5,9-10,13-14H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate?
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate has a molecular weight of 331.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 8954502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).