4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid

C15H25NO4 — CID 69307681

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1(C(=O)O)CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO4/c1-5-8-15(12(17)18)9-6-11(7-10-15)16-13(19)20-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,16,19)(H,17,18)
InChIKeyRMPGHFKSUQTLNR-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.10
Rot. Bonds4

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid (PubChem CID 69307681) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid
PubChem CID69307681
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1(C(=O)O)CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO4/c1-5-8-15(12(17)18)9-6-11(7-10-15)16-13(19)20-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,16,19)(H,17,18)
InChIKeyRMPGHFKSUQTLNR-UHFFFAOYSA-N
XLogP3.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid (CID 69307681) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid is C=CCC1(C(=O)O)CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid?
The InChIKey is RMPGHFKSUQTLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-8-15(12(17)18)9-6-11(7-10-15)16-13(19)20-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-prop-2-enylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 69307681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).