2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H16F3N3O4 — CID 79262944

IUPAC2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNC(=O)C1CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O4/c12-11(13,14)6-17(5-8(18)19)10(21)16-3-1-7(2-4-16)9(15)20/h7H,1-6H2,(H2,15,20)(H,18,19)
InChIKeyKYAJWQTZROOWNY-UHFFFAOYSA-N
MW311.26 g/mol
LogP0.25
Rot. Bonds4

About 2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79262944) has the molecular formula C11H16F3N3O4 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79262944
Molecular FormulaC11H16F3N3O4
Molecular Weight311.26 g/mol
Exact Mass311.11
IUPAC Name2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNC(=O)C1CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O4/c12-11(13,14)6-17(5-8(18)19)10(21)16-3-1-7(2-4-16)9(15)20/h7H,1-6H2,(H2,15,20)(H,18,19)
InChIKeyKYAJWQTZROOWNY-UHFFFAOYSA-N
XLogP0.25
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79262944) is 2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is NC(=O)C1CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1.
What is the InChIKey of 2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is KYAJWQTZROOWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O4/c12-11(13,14)6-17(5-8(18)19)10(21)16-3-1-7(2-4-16)9(15)20/h7H,1-6H2,(H2,15,20)(H,18,19).
What are the key properties of 2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 311.26 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79262944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).