2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid

C14H24N2O4 — CID 83214389

IUPAC2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)C1CCC(CN)O1
InChIInChI=1S/C14H24N2O4/c1-14(13(18)19)7-3-2-4-11(14)16-12(17)10-6-5-9(8-15)20-10/h9-11H,2-8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyBAURLNZVBBJWMT-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.64
Rot. Bonds4

About 2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid

2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83214389) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID83214389
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)C1CCC(CN)O1
InChIInChI=1S/C14H24N2O4/c1-14(13(18)19)7-3-2-4-11(14)16-12(17)10-6-5-9(8-15)20-10/h9-11H,2-8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyBAURLNZVBBJWMT-UHFFFAOYSA-N
XLogP0.64
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid (CID 83214389) is 2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1NC(=O)C1CCC(CN)O1.
What is the InChIKey of 2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is BAURLNZVBBJWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(13(18)19)7-3-2-4-11(14)16-12(17)10-6-5-9(8-15)20-10/h9-11H,2-8,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid?
2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83214389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).