3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid

C19H34N2O5 — CID 66969957

IUPAC3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid
SMILESC[C@H]1CCC(=O)N(C[C@@H](NC(=O)OC(C)(C)C)C(C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C19H34N2O5/c1-12-8-9-14(22)21(10-12)11-13(15(16(23)24)18(2,3)4)20-17(25)26-19(5,6)7/h12-13,15H,8-11H2,1-7H3,(H,20,25)(H,23,24)/t12-,13+,15?/m0/s1
InChIKeyQJAIXUHAMVVGKH-IKCIUXDWSA-N
MW370.49 g/mol
LogP2.89
Rot. Bonds5

About 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid

3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid (PubChem CID 66969957) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid
PubChem CID66969957
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Name3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid
SMILESC[C@H]1CCC(=O)N(C[C@@H](NC(=O)OC(C)(C)C)C(C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C19H34N2O5/c1-12-8-9-14(22)21(10-12)11-13(15(16(23)24)18(2,3)4)20-17(25)26-19(5,6)7/h12-13,15H,8-11H2,1-7H3,(H,20,25)(H,23,24)/t12-,13+,15?/m0/s1
InChIKeyQJAIXUHAMVVGKH-IKCIUXDWSA-N
XLogP2.89
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid (CID 66969957) is 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid is C[C@H]1CCC(=O)N(C[C@@H](NC(=O)OC(C)(C)C)C(C(=O)O)C(C)(C)C)C1.
What is the InChIKey of 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid?
The InChIKey is QJAIXUHAMVVGKH-IKCIUXDWSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-12-8-9-14(22)21(10-12)11-13(15(16(23)24)18(2,3)4)20-17(25)26-19(5,6)7/h12-13,15H,8-11H2,1-7H3,(H,20,25)(H,23,24)/t12-,13+,15?/m0/s1.
What are the key properties of 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid?
3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid has a molecular weight of 370.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(1S)-2-[(5S)-5-methyl-2-oxopiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]butanoic acid is sourced from PubChem (CID 66969957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).