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

C17H32N2O4 — CID 18658669

IUPAC(2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid
SMILESCC(C)CC(CN1CCCC[C@H]1C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-12(2)10-13(18-16(22)23-17(3,4)5)11-19-9-7-6-8-14(19)15(20)21/h12-14H,6-11H2,1-5H3,(H,18,22)(H,20,21)/t13?,14-/m0/s1
InChIKeyCYZYBDXVXYJALF-KZUDCZAMSA-N
MW328.45 g/mol
LogP2.86
Rot. Bonds6

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

(2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid (PubChem CID 18658669) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid
PubChem CID18658669
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name(2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid
SMILESCC(C)CC(CN1CCCC[C@H]1C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-12(2)10-13(18-16(22)23-17(3,4)5)11-19-9-7-6-8-14(19)15(20)21/h12-14H,6-11H2,1-5H3,(H,18,22)(H,20,21)/t13?,14-/m0/s1
InChIKeyCYZYBDXVXYJALF-KZUDCZAMSA-N
XLogP2.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid (CID 18658669) is (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid is CC(C)CC(CN1CCCC[C@H]1C(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid?
The InChIKey is CYZYBDXVXYJALF-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-12(2)10-13(18-16(22)23-17(3,4)5)11-19-9-7-6-8-14(19)15(20)21/h12-14H,6-11H2,1-5H3,(H,18,22)(H,20,21)/t13?,14-/m0/s1.
What are the key properties of (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid?
(2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid has a molecular weight of 328.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 18658669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).