methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate

C15H20N2O4 — CID 15837674

IUPACmethyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(c2ccccc2OC)N1C(=O)CN
InChIInChI=1S/C15H20N2O4/c1-20-13-6-4-3-5-10(13)11-7-8-12(15(19)21-2)17(11)14(18)9-16/h3-6,11-12H,7-9,16H2,1-2H3/t11?,12-/m0/s1
InChIKeyDROUUKSUUVIQGX-KIYNQFGBSA-N
MW292.33 g/mol
LogP0.86
Rot. Bonds4

About methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate

methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate (PubChem CID 15837674) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
PubChem CID15837674
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(c2ccccc2OC)N1C(=O)CN
InChIInChI=1S/C15H20N2O4/c1-20-13-6-4-3-5-10(13)11-7-8-12(15(19)21-2)17(11)14(18)9-16/h3-6,11-12H,7-9,16H2,1-2H3/t11?,12-/m0/s1
InChIKeyDROUUKSUUVIQGX-KIYNQFGBSA-N
XLogP0.86
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
CID 10566577
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 102437813
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
(2S,5R)-5-(2-methoxyphenyl)-1-[2-[[(2S)-3-(4-methoxyphenyl)-2-sulfanylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 10743060
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
1-O-benzyl 2-O-methyl (2S,5R)-5-(4-methylphenyl)pyrrolidine-1,2-dicarboxylate
CID 25196147
methyl (2R,5R)-1-(3-methyl-3-phenylbutanoyl)-5-phenylpyrrolidine-2-carboxylate
CID 99795624
2,2,2-trichloroethyl (4S)-4-(2-methoxyphenyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 11246710
2-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 51657078
1-O-benzyl 2-O-methyl 5-(2,4,6-trimethylphenyl)pyrrolidine-1,2-dicarboxylate
CID 74406087
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate (CID 15837674) is methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCC(c2ccccc2OC)N1C(=O)CN.
What is the InChIKey of methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate?
The InChIKey is DROUUKSUUVIQGX-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-13-6-4-3-5-10(13)11-7-8-12(15(19)21-2)17(11)14(18)9-16/h3-6,11-12H,7-9,16H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 15837674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).