methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate

C17H24N2O3 — CID 119818568

IUPACmethyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
SMILESCOC(=O)C(C)C(NC(=O)CC1CCCN1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-12(17(21)22-2)16(13-7-4-3-5-8-13)19-15(20)11-14-9-6-10-18-14/h3-5,7-8,12,14,16,18H,6,9-11H2,1-2H3,(H,19,20)
InChIKeyPWWFNWHHWBDKMP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.80
Rot. Bonds6

About methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate

methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate (PubChem CID 119818568) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
PubChem CID119818568
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
SMILESCOC(=O)C(C)C(NC(=O)CC1CCCN1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-12(17(21)22-2)16(13-7-4-3-5-8-13)19-15(20)11-14-9-6-10-18-14/h3-5,7-8,12,14,16,18H,6,9-11H2,1-2H3,(H,19,20)
InChIKeyPWWFNWHHWBDKMP-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
CID 119707961
methyl 2-methyl-3-phenyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119940444
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
CID 119818551
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300
methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119818562
N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 81400921
N-(2-phenoxy-1-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 119779882
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 170764199
methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119343555

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate (CID 119818568) is methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate is COC(=O)C(C)C(NC(=O)CC1CCCN1)c1ccccc1.
What is the InChIKey of methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate?
The InChIKey is PWWFNWHHWBDKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(17(21)22-2)16(13-7-4-3-5-8-13)19-15(20)11-14-9-6-10-18-14/h3-5,7-8,12,14,16,18H,6,9-11H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate?
methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate has a molecular weight of 304.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate is sourced from PubChem (CID 119818568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).