trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid

C17H20N2O4 — CID 125131992

IUPACtrans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)NCc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C17H20N2O4/c20-15-5-2-6-19(15)10-12-4-1-3-11(7-12)9-18-16(21)13-8-14(13)17(22)23/h1,3-4,7,13-14H,2,5-6,8-10H2,(H,18,21)(H,22,23)/t13-,14-/m1/s1
InChIKeySUIOFQCBMLWELO-ZIAGYGMSSA-N
MW316.36 g/mol
LogP1.15
Rot. Bonds6

About trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 125131992) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID125131992
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nametrans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)NCc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C17H20N2O4/c20-15-5-2-6-19(15)10-12-4-1-3-11(7-12)9-18-16(21)13-8-14(13)17(22)23/h1,3-4,7,13-14H,2,5-6,8-10H2,(H,18,21)(H,22,23)/t13-,14-/m1/s1
InChIKeySUIOFQCBMLWELO-ZIAGYGMSSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

3-amino-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717021
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CID 38387385
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974895
2-(1-adamantyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 78868533
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119717013
2-methyl-1-(2-methylcyclopropyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111961008
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 87004700
1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825436
1-[4-(4-methylpiperidin-1-yl)butyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890485
1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890501
2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 86981622

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 125131992) is trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1C(=O)NCc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is SUIOFQCBMLWELO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15-5-2-6-19(15)10-12-4-1-3-11(7-12)9-18-16(21)13-8-14(13)17(22)23/h1,3-4,7,13-14H,2,5-6,8-10H2,(H,18,21)(H,22,23)/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125131992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).