2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid

C12H20N2O4 — CID 113318991

IUPAC2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H20N2O4/c1-3-8(2)14(7-11(16)17)12(18)9-4-5-10(15)13-6-9/h8-9H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGCPFDCODIUCNKI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.22
Rot. Bonds5

About 2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid

2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid (PubChem CID 113318991) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid
PubChem CID113318991
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H20N2O4/c1-3-8(2)14(7-11(16)17)12(18)9-4-5-10(15)13-6-9/h8-9H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGCPFDCODIUCNKI-UHFFFAOYSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid (CID 113318991) is 2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)C1CCC(=O)NC1.
What is the InChIKey of 2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid?
The InChIKey is GCPFDCODIUCNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-8(2)14(7-11(16)17)12(18)9-4-5-10(15)13-6-9/h8-9H,3-7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid?
2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 113318991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).