2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

C13H23NO3 — CID 60790622

IUPAC2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-8(2)5-4-6-9(3)14-12(15)10-7-11(10)13(16)17/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyZNFTXMZKJJRMAC-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.04
Rot. Bonds7

About 2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 60790622) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID60790622
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-8(2)5-4-6-9(3)14-12(15)10-7-11(10)13(16)17/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyZNFTXMZKJJRMAC-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2949779
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic Acid
CID 4638930
2-[(1-Cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 120696116
2-[[3-(Trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868239
2-[[4-(Trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868339
2-[[2-(Trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868352
2,2-Dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64834835
2,2-Dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64835405
2,2-Dimethyl-3-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64835406
cis-(1S,2R)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366622
cis-(1R,3S)-2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 105634918
cis-(1R,3S)-2,2-dimethyl-3-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 105634921

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 60790622) is 2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is CC(C)CCCC(C)NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZNFTXMZKJJRMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8(2)5-4-6-9(3)14-12(15)10-7-11(10)13(16)17/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60790622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).