methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate

C18H23FN2O3 — CID 97317058

IUPACmethyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H23FN2O3/c1-24-18(23)16-7-4-10-20(16)12-17(22)21(14-8-9-14)11-13-5-2-3-6-15(13)19/h2-3,5-6,14,16H,4,7-12H2,1H3/t16-/m1/s1
InChIKeyYOEXJOMSCBHFSG-MRXNPFEDSA-N
MW334.39 g/mol
LogP1.95
Rot. Bonds6

About methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate

methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 97317058) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID97317058
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Namemethyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H23FN2O3/c1-24-18(23)16-7-4-10-20(16)12-17(22)21(14-8-9-14)11-13-5-2-3-6-15(13)19/h2-3,5-6,14,16H,4,7-12H2,1H3/t16-/m1/s1
InChIKeyYOEXJOMSCBHFSG-MRXNPFEDSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 84584110
(2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 95289187
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
CID 75402782
methyl (2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 30980101
N-[(2-fluorophenyl)methyl]-N-methyl-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 60505355
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate (CID 97317058) is methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1CC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is YOEXJOMSCBHFSG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-24-18(23)16-7-4-10-20(16)12-17(22)21(14-8-9-14)11-13-5-2-3-6-15(13)19/h2-3,5-6,14,16H,4,7-12H2,1H3/t16-/m1/s1.
What are the key properties of methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 334.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 97317058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).