1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H21NO4 — CID 79750991

IUPAC1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1OCCC1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H21NO4/c1-9-10(5-8-18-9)11(15)14-13(12(16)17)6-3-2-4-7-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeySDXMDDZLYVTSDM-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.32
Rot. Bonds3

About 1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79750991) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID79750991
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1OCCC1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H21NO4/c1-9-10(5-8-18-9)11(15)14-13(12(16)17)6-3-2-4-7-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeySDXMDDZLYVTSDM-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114240909
2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid
CID 79760323
1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82728325
N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
CID 115885935
1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 79759322
1-methyl-2-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83214275
1-[(2-methylcyclopentanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 107175622
1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 122129367
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114314618
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114303934

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 79750991) is 1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1OCCC1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SDXMDDZLYVTSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9-10(5-8-18-9)11(15)14-13(12(16)17)6-3-2-4-7-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79750991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).