1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid

C14H24N2O5 — CID 68843704

IUPAC1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)15(4)9-11(17)16-7-5-10(6-8-16)12(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyCQYHQLOBMHOVDG-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.18
Rot. Bonds3

About 1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 68843704) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid
PubChem CID68843704
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Name1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)15(4)9-11(17)16-7-5-10(6-8-16)12(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyCQYHQLOBMHOVDG-UHFFFAOYSA-N
XLogP1.18
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid (CID 68843704) is 1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of 1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is CQYHQLOBMHOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)15(4)9-11(17)16-7-5-10(6-8-16)12(18)19/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 300.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 68843704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).