2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

C15H26N2O4 — CID 64835014

IUPAC2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C15H26N2O4/c1-14(2,17-5-7-21-8-6-17)9-16-12(18)10-11(13(19)20)15(10,3)4/h10-11H,5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyVQNFMGMIRGVVHB-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.57
Rot. Bonds5

About 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 64835014) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID64835014
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C15H26N2O4/c1-14(2,17-5-7-21-8-6-17)9-16-12(18)10-11(13(19)20)15(10,3)4/h10-11H,5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyVQNFMGMIRGVVHB-UHFFFAOYSA-N
XLogP0.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065417
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 110913680
N-(2-methyl-2-morpholin-4-ylpropyl)adamantane-2-carboxamide
CID 51251027
(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
CID 120796944
1-amino-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 61248465
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830190
2-(1-aminocyclohexyl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 64679417
4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
CID 115439421
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 63663829

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 64835014) is 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VQNFMGMIRGVVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(2,17-5-7-21-8-6-17)9-16-12(18)10-11(13(19)20)15(10,3)4/h10-11H,5-9H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).