2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride

C13H25ClN2O4 — CID 119031126

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NC(CN1CCCCC1)C(=O)O.Cl
InChIInChI=1S/C13H24N2O4.ClH/c1-13(2,3)19-12(18)14-10(11(16)17)9-15-7-5-4-6-8-15;/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17);1H
InChIKeyWIAQYQLFSJINJF-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.87
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride (PubChem CID 119031126) has the molecular formula C13H25ClN2O4 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride
PubChem CID119031126
Molecular FormulaC13H25ClN2O4
Molecular Weight308.81 g/mol
Exact Mass308.15
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NC(CN1CCCCC1)C(=O)O.Cl
InChIInChI=1S/C13H24N2O4.ClH/c1-13(2,3)19-12(18)14-10(11(16)17)9-15-7-5-4-6-8-15;/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17);1H
InChIKeyWIAQYQLFSJINJF-UHFFFAOYSA-N
XLogP1.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride 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 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride (CID 119031126) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride is CC(C)(C)OC(=O)NC(CN1CCCCC1)C(=O)O.Cl.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride?
The InChIKey is WIAQYQLFSJINJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4.ClH/c1-13(2,3)19-12(18)14-10(11(16)17)9-15-7-5-4-6-8-15;/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17);1H.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 119031126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).