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

C12H20N2O4 — CID 64892980

IUPAC1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)NC2(C(=O)O)CCCCC2)CCOC1
InChIInChI=1S/C12H20N2O4/c13-11(6-7-18-8-11)9(15)14-12(10(16)17)4-2-1-3-5-12/h1-8,13H2,(H,14,15)(H,16,17)
InChIKeyPAAXURMNSCFYDZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.01
Rot. Bonds3

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

1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64892980) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64892980
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)NC2(C(=O)O)CCCCC2)CCOC1
InChIInChI=1S/C12H20N2O4/c13-11(6-7-18-8-11)9(15)14-12(10(16)17)4-2-1-3-5-12/h1-8,13H2,(H,14,15)(H,16,17)
InChIKeyPAAXURMNSCFYDZ-UHFFFAOYSA-N
XLogP0.01
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 61158699
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide
CID 106298704
4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide
CID 115294821
N-(1-adamantyl)-3-aminooxolane-3-carboxamide
CID 64891486
2-[(3-aminooxolane-3-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213780
4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide
CID 113280753
1-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 104764320
2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 115430426
1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114240909
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 64892988
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid
CID 113311788
(3S)-3-aminooxolane-3-carboxamide
CID 96640573

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64892980) is 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid is NC1(C(=O)NC2(C(=O)O)CCCCC2)CCOC1.
What is the InChIKey of 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PAAXURMNSCFYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-11(6-7-18-8-11)9(15)14-12(10(16)17)4-2-1-3-5-12/h1-8,13H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64892980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).