methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate

C17H25NO4S — CID 95627935

IUPACmethyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate
SMILESCOC(=O)CCN(C[C@H]1CCCO1)C(=O)CCCc1cccs1
InChIInChI=1S/C17H25NO4S/c1-21-17(20)9-10-18(13-14-5-3-11-22-14)16(19)8-2-6-15-7-4-12-23-15/h4,7,12,14H,2-3,5-6,8-11,13H2,1H3/t14-/m1/s1
InChIKeyJWCKWUDVXZEQCF-CQSZACIVSA-N
MW339.46 g/mol
LogP2.64
Rot. Bonds9

About methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate

methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate (PubChem CID 95627935) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate
PubChem CID95627935
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Namemethyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate
SMILESCOC(=O)CCN(C[C@H]1CCCO1)C(=O)CCCc1cccs1
InChIInChI=1S/C17H25NO4S/c1-21-17(20)9-10-18(13-14-5-3-11-22-14)16(19)8-2-6-15-7-4-12-23-15/h4,7,12,14H,2-3,5-6,8-11,13H2,1H3/t14-/m1/s1
InChIKeyJWCKWUDVXZEQCF-CQSZACIVSA-N
XLogP2.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate with MolForge

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 45201215
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 45230896
methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964014
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 3-[oxolan-2-ylmethyl(phenylmethoxycarbonyl)amino]propanoate
CID 78964120
3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 134047491
oxan-2-ylmethyl 4-thiophen-2-ylbutanoate
CID 78790137
N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 112823627

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate?
The IUPAC name of methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate (CID 95627935) is methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate is COC(=O)CCN(C[C@H]1CCCO1)C(=O)CCCc1cccs1.
What is the InChIKey of methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate?
The InChIKey is JWCKWUDVXZEQCF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-21-17(20)9-10-18(13-14-5-3-11-22-14)16(19)8-2-6-15-7-4-12-23-15/h4,7,12,14H,2-3,5-6,8-11,13H2,1H3/t14-/m1/s1.
What are the key properties of methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate?
methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate has a molecular weight of 339.46 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate is sourced from PubChem (CID 95627935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).