2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid

C12H19NO4 — CID 120696096

IUPAC2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(NC(=O)C1CC1C(=O)O)C1CCCO1
InChIInChI=1S/C12H19NO4/c1-2-9(10-4-3-5-17-10)13-11(14)7-6-8(7)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyWJIQNSGATHFRAM-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.78
Rot. Bonds5

About 2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid

2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120696096) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120696096
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(NC(=O)C1CC1C(=O)O)C1CCCO1
InChIInChI=1S/C12H19NO4/c1-2-9(10-4-3-5-17-10)13-11(14)7-6-8(7)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyWJIQNSGATHFRAM-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 129433389
2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106223865
4,4-dimethyl-2-(methylamino)-N-[1-(oxolan-2-yl)propyl]pentanamide
CID 167850623
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea
CID 97244266
N-[4-[[(1R)-1-[(2R)-oxolan-2-yl]propyl]amino]cyclohexyl]acetamide
CID 99634980
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 99830495
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea
CID 109491442

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid (CID 120696096) is 2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid is CCC(NC(=O)C1CC1C(=O)O)C1CCCO1.
What is the InChIKey of 2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is WJIQNSGATHFRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-2-9(10-4-3-5-17-10)13-11(14)7-6-8(7)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120696096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).