2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C10H16F3N3O4 — CID 79265977

IUPAC2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(C)C(=O)CCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H16F3N3O4/c1-15(2)7(17)3-4-14-9(20)16(5-8(18)19)6-10(11,12)13/h3-6H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyLRVZMIVTEJPYGV-UHFFFAOYSA-N
MW299.25 g/mol
LogP0.12
Rot. Bonds6

About 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265977) has the molecular formula C10H16F3N3O4 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265977
Molecular FormulaC10H16F3N3O4
Molecular Weight299.25 g/mol
Exact Mass299.11
IUPAC Name2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(C)C(=O)CCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H16F3N3O4/c1-15(2)7(17)3-4-14-9(20)16(5-8(18)19)6-10(11,12)13/h3-6H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyLRVZMIVTEJPYGV-UHFFFAOYSA-N
XLogP0.12
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265977) is 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is CN(C)C(=O)CCNC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is LRVZMIVTEJPYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O4/c1-15(2)7(17)3-4-14-9(20)16(5-8(18)19)6-10(11,12)13/h3-6H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 299.25 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).