3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid

C15H27NO4 — CID 164663917

IUPAC3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid
SMILESCC(CC(=O)O)C1(NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C15H27NO4/c1-11(10-12(17)18)15(8-6-5-7-9-15)16-13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJMPOYYIWKSEHMV-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.32
Rot. Bonds4

About 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid

3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid (PubChem CID 164663917) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid
PubChem CID164663917
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid
SMILESCC(CC(=O)O)C1(NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C15H27NO4/c1-11(10-12(17)18)15(8-6-5-7-9-15)16-13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJMPOYYIWKSEHMV-UHFFFAOYSA-N
XLogP3.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate
CID 167733960
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135
tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
CID 115071728
tert-butyl N-[4-(1-hydroxyethyl)oxepan-4-yl]carbamate
CID 170203824
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctyl] formate
CID 135186594
tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate
CID 155893880
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] formate
CID 57097698
methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylate
CID 59614777

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid (CID 164663917) is 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid is CC(CC(=O)O)C1(NC(=O)OC(C)(C)C)CCCCC1.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid?
The InChIKey is JMPOYYIWKSEHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(10-12(17)18)15(8-6-5-7-9-15)16-13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid?
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid has a molecular weight of 285.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid is sourced from PubChem (CID 164663917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).