2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid

C14H26N2O4 — CID 66564594

IUPAC2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-5-15(10-12(17)18)11-6-8-16(9-7-11)13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyYMUFUFPAJBYSCR-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.79
Rot. Bonds4

About 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid (PubChem CID 66564594) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid
PubChem CID66564594
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-5-15(10-12(17)18)11-6-8-16(9-7-11)13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyYMUFUFPAJBYSCR-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic 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 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid (CID 66564594) is 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is YMUFUFPAJBYSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-15(10-12(17)18)11-6-8-16(9-7-11)13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 66564594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).