methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate

C17H24N2O3 — CID 95315542

IUPACmethyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCN1CCC[C@H]1c1ccc(C)cc1
InChIInChI=1S/C17H24N2O3/c1-13-5-7-14(8-6-13)15-4-3-10-19(15)11-9-16(20)18-12-17(21)22-2/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyQEWXNMQXNXZODQ-HNNXBMFYSA-N
MW304.39 g/mol
LogP1.81
Rot. Bonds6

About methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate

methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate (PubChem CID 95315542) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate
PubChem CID95315542
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCN1CCC[C@H]1c1ccc(C)cc1
InChIInChI=1S/C17H24N2O3/c1-13-5-7-14(8-6-13)15-4-3-10-19(15)11-9-16(20)18-12-17(21)22-2/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyQEWXNMQXNXZODQ-HNNXBMFYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]propanoylamino]acetate
CID 95339244
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2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol
CID 24845455
6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine
CID 166174169
methyl 2-[3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]propanoylamino]acetate
CID 100906324
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 86952130
2-[2-(4-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42946126
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
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N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55551245
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656
3-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 95120065
N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
CID 51313431

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate?
The IUPAC name of methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate (CID 95315542) is methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate.
What is the SMILES notation for methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate?
The canonical SMILES for methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate is COC(=O)CNC(=O)CCN1CCC[C@H]1c1ccc(C)cc1.
What is the InChIKey of methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate?
The InChIKey is QEWXNMQXNXZODQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-5-7-14(8-6-13)15-4-3-10-19(15)11-9-16(20)18-12-17(21)22-2/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate?
methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate has a molecular weight of 304.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]propanoylamino]acetate is sourced from PubChem (CID 95315542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).