methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate

C16H22N2O3 — CID 61366041

IUPACmethyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)CC1CCCN1
InChIInChI=1S/C16H22N2O3/c1-21-16(20)12-18(11-13-6-3-2-4-7-13)15(19)10-14-8-5-9-17-14/h2-4,6-7,14,17H,5,8-12H2,1H3
InChIKeyORUKRSRZZFITFB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.33
Rot. Bonds6

About methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate

methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate (PubChem CID 61366041) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
PubChem CID61366041
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)CC1CCCN1
InChIInChI=1S/C16H22N2O3/c1-21-16(20)12-18(11-13-6-3-2-4-7-13)15(19)10-14-8-5-9-17-14/h2-4,6-7,14,17H,5,8-12H2,1H3
InChIKeyORUKRSRZZFITFB-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783040
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 119752528
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752527
N-benzyl-N-(4-methoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119691210
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61364086
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119816686
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
CID 61365434
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 61365242

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate?
The IUPAC name of methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate (CID 61366041) is methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate?
The canonical SMILES for methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate is COC(=O)CN(Cc1ccccc1)C(=O)CC1CCCN1.
What is the InChIKey of methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate?
The InChIKey is ORUKRSRZZFITFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-16(20)12-18(11-13-6-3-2-4-7-13)15(19)10-14-8-5-9-17-14/h2-4,6-7,14,17H,5,8-12H2,1H3.
What are the key properties of methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate?
methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate is sourced from PubChem (CID 61366041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).