propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate

C17H31AsO3 — CID 173436391

IUPACpropyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate
SMILESCCCOC(=O)[C@@H](C)[AsH]C(=O)C1C[C@H](C)CCC1C(C)C
InChIInChI=1S/C17H31AsO3/c1-6-9-21-17(20)13(5)18-16(19)15-10-12(4)7-8-14(15)11(2)3/h11-15,18H,6-10H2,1-5H3/t12-,13-,14?,15?/m1/s1
InChIKeyOCIXTLOMJMEUJL-LMRVLLHPSA-N
MW358.35 g/mol
LogP3.42
Rot. Bonds7

About propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate

propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate (PubChem CID 173436391) has the molecular formula C17H31AsO3 and a molecular weight of 358.35 g/mol. Its IUPAC name is propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate.

Molecular Properties

Compound Namepropyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate
PubChem CID173436391
Molecular FormulaC17H31AsO3
Molecular Weight358.35 g/mol
Exact Mass358.15
IUPAC Namepropyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate
SMILESCCCOC(=O)[C@@H](C)[AsH]C(=O)C1C[C@H](C)CCC1C(C)C
InChIInChI=1S/C17H31AsO3/c1-6-9-21-17(20)13(5)18-16(19)15-10-12(4)7-8-14(15)11(2)3/h11-15,18H,6-10H2,1-5H3/t12-,13-,14?,15?/m1/s1
InChIKeyOCIXTLOMJMEUJL-LMRVLLHPSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate 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

butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate
CID 67262827
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
butyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
CID 67262789
5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
CID 87694717
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
CID 67262806
2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 21426272
2-phenylethyl (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 129275689
butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
CID 67262770

Frequently Asked Questions

What is the IUPAC name of propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate?
The IUPAC name of propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate (CID 173436391) is propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate.
What is the SMILES notation for propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate?
The canonical SMILES for propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate is CCCOC(=O)[C@@H](C)[AsH]C(=O)C1C[C@H](C)CCC1C(C)C.
What is the InChIKey of propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate?
The InChIKey is OCIXTLOMJMEUJL-LMRVLLHPSA-N. The full InChI is InChI=1S/C17H31AsO3/c1-6-9-21-17(20)13(5)18-16(19)15-10-12(4)7-8-14(15)11(2)3/h11-15,18H,6-10H2,1-5H3/t12-,13-,14?,15?/m1/s1.
What are the key properties of propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate?
propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate has a molecular weight of 358.35 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate is sourced from PubChem (CID 173436391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).