1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H21NO4 — CID 114240909

IUPAC1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1COCCC1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H21NO4/c1-9-8-18-7-4-10(9)11(15)14-13(12(16)17)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyMRJCYEXGBJGKSR-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.17
Rot. Bonds3

About 1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114240909) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114240909
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1COCCC1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H21NO4/c1-9-8-18-7-4-10(9)11(15)14-13(12(16)17)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyMRJCYEXGBJGKSR-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79750991
1-[(2-methylcyclopentanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 107175622
1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 122129367
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide
CID 114241726
4-[(2-methylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 113280297
1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61209789
1-[[methyl(oxan-4-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61202972
1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 113364085
1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452828
1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 81356177
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 106703045

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 114240909) is 1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid is CC1COCCC1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is MRJCYEXGBJGKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9-8-18-7-4-10(9)11(15)14-13(12(16)17)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114240909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).