2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C17H20N2O5 — CID 119182807

IUPAC2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C17H20N2O5/c1-24-14-5-4-10(16(21)19-6-2-3-7-19)8-13(14)18-15(20)11-9-12(11)17(22)23/h4-5,8,11-12H,2-3,6-7,9H2,1H3,(H,18,20)(H,22,23)
InChIKeyLXLRSLCRVSWAAD-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.59
Rot. Bonds5

About 2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119182807) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119182807
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C17H20N2O5/c1-24-14-5-4-10(16(21)19-6-2-3-7-19)8-13(14)18-15(20)11-9-12(11)17(22)23/h4-5,8,11-12H,2-3,6-7,9H2,1H3,(H,18,20)(H,22,23)
InChIKeyLXLRSLCRVSWAAD-UHFFFAOYSA-N
XLogP1.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131920
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119755679
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736
3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119866742
trans-(1R,2R)-2-[(2-methoxy-5-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129365678
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119307355
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119755653

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 119182807) is 2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LXLRSLCRVSWAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-24-14-5-4-10(16(21)19-6-2-3-7-19)8-13(14)18-15(20)11-9-12(11)17(22)23/h4-5,8,11-12H,2-3,6-7,9H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119182807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).