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

C17H26N2O2 — CID 64560589

IUPACmethyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate
SMILESCCCN(CC(C(=O)OC)c1ccccc1)C1CCNC1
InChIInChI=1S/C17H26N2O2/c1-3-11-19(15-9-10-18-12-15)13-16(17(20)21-2)14-7-5-4-6-8-14/h4-8,15-16,18H,3,9-13H2,1-2H3
InChIKeyCXKXVHLJWXCYBR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.02
Rot. Bonds7

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

methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate (PubChem CID 64560589) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate
PubChem CID64560589
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namemethyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate
SMILESCCCN(CC(C(=O)OC)c1ccccc1)C1CCNC1
InChIInChI=1S/C17H26N2O2/c1-3-11-19(15-9-10-18-12-15)13-16(17(20)21-2)14-7-5-4-6-8-14/h4-8,15-16,18H,3,9-13H2,1-2H3
InChIKeyCXKXVHLJWXCYBR-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid
CID 64560977
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
CID 175212837
N-methyl-N-phenyl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921695
methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate
CID 64565043
N-ethyl-N-phenyl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921389
N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921645
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920
N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921375
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933122

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate?
The IUPAC name of methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate (CID 64560589) is methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate is CCCN(CC(C(=O)OC)c1ccccc1)C1CCNC1.
What is the InChIKey of methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate?
The InChIKey is CXKXVHLJWXCYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-19(15-9-10-18-12-15)13-16(17(20)21-2)14-7-5-4-6-8-14/h4-8,15-16,18H,3,9-13H2,1-2H3.
What are the key properties of methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate?
methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate has a molecular weight of 290.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate is sourced from PubChem (CID 64560589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).