methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate

C19H21FN4O3 — CID 156774240

IUPACmethyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cnc(N2CCCC2c2cccc(F)c2)nc1
InChIInChI=1S/C19H21FN4O3/c1-12(18(26)27-2)23-17(25)14-10-21-19(22-11-14)24-8-4-7-16(24)13-5-3-6-15(20)9-13/h3,5-6,9-12,16H,4,7-8H2,1-2H3,(H,23,25)
InChIKeyZEQRJUQWWQYNBP-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.25
Rot. Bonds5

About methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate

methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate (PubChem CID 156774240) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate
PubChem CID156774240
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Namemethyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cnc(N2CCCC2c2cccc(F)c2)nc1
InChIInChI=1S/C19H21FN4O3/c1-12(18(26)27-2)23-17(25)14-10-21-19(22-11-14)24-8-4-7-16(24)13-5-3-6-15(20)9-13/h3,5-6,9-12,16H,4,7-8H2,1-2H3,(H,23,25)
InChIKeyZEQRJUQWWQYNBP-UHFFFAOYSA-N
XLogP2.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate (CID 156774240) is methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate is COC(=O)C(C)NC(=O)c1cnc(N2CCCC2c2cccc(F)c2)nc1.
What is the InChIKey of methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate?
The InChIKey is ZEQRJUQWWQYNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-12(18(26)27-2)23-17(25)14-10-21-19(22-11-14)24-8-4-7-16(24)13-5-3-6-15(20)9-13/h3,5-6,9-12,16H,4,7-8H2,1-2H3,(H,23,25).
What are the key properties of methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate?
methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate has a molecular weight of 372.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]amino]propanoate is sourced from PubChem (CID 156774240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).