1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid

C17H30N2O5 — CID 4317360

IUPAC1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H30N2O5/c1-11(2)10-13(18-16(23)24-17(3,4)5)14(20)19-8-6-12(7-9-19)15(21)22/h11-13H,6-10H2,1-5H3,(H,18,23)(H,21,22)
InChIKeyFMUHXOODFSGABP-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.25
Rot. Bonds5

About 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid

1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid (PubChem CID 4317360) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid
PubChem CID4317360
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H30N2O5/c1-11(2)10-13(18-16(23)24-17(3,4)5)14(20)19-8-6-12(7-9-19)15(21)22/h11-13H,6-10H2,1-5H3,(H,18,23)(H,21,22)
InChIKeyFMUHXOODFSGABP-UHFFFAOYSA-N
XLogP2.25
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-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 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid (CID 4317360) is 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid is CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid?
The InChIKey is FMUHXOODFSGABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-11(2)10-13(18-16(23)24-17(3,4)5)14(20)19-8-6-12(7-9-19)15(21)22/h11-13H,6-10H2,1-5H3,(H,18,23)(H,21,22).
What are the key properties of 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid?
1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4317360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).