2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid

C15H28N2O3 — CID 103500285

IUPAC2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC(C)C1CCN(C(=O)N(CC(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)12-6-8-16(9-7-12)14(20)17(10-13(18)19)15(3,4)5/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyIAVTVWKARDDBQD-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.66
Rot. Bonds3

About 2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid

2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 103500285) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID103500285
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC(C)C1CCN(C(=O)N(CC(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)12-6-8-16(9-7-12)14(20)17(10-13(18)19)15(3,4)5/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyIAVTVWKARDDBQD-UHFFFAOYSA-N
XLogP2.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid (CID 103500285) is 2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid is CC(C)C1CCN(C(=O)N(CC(=O)O)C(C)(C)C)CC1.
What is the InChIKey of 2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is IAVTVWKARDDBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)12-6-8-16(9-7-12)14(20)17(10-13(18)19)15(3,4)5/h11-12H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid?
2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 103500285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).