methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate

C14H20N2O2 — CID 175212837

IUPACmethyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(C)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-16(12-8-9-15-10-12)13(14(17)18-2)11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3
InChIKeyFWVZRVNJBVAMJZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.19
Rot. Bonds4

About methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate

methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate (PubChem CID 175212837) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
PubChem CID175212837
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(C)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-16(12-8-9-15-10-12)13(14(17)18-2)11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3
InChIKeyFWVZRVNJBVAMJZ-UHFFFAOYSA-N
XLogP1.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopropyl(methyl)amino]-2-phenylacetate
CID 116857387
methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate
CID 64560589
methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate
CID 79414659
2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119551607
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
CID 122080526
methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate
CID 116857430
N-methyl-N-[1-(4-phenylphenyl)ethyl]pyrrolidin-3-amine
CID 63297346
2-(dimethylamino)-2-phenyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119387962
benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 106484429
2-[methyl(pyrrolidin-3-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 63298363
2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
CID 82345029

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate (CID 175212837) is methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate is COC(=O)C(c1ccccc1)N(C)C1CCNC1.
What is the InChIKey of methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate?
The InChIKey is FWVZRVNJBVAMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(12-8-9-15-10-12)13(14(17)18-2)11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3.
What are the key properties of methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate?
methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate has a molecular weight of 248.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate is sourced from PubChem (CID 175212837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).