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

C8H13F3N2O3 — CID 79258862

IUPAC2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCNC(=O)CCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-12-6(14)2-3-13(4-7(15)16)5-8(9,10)11/h2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyZGBVECPWOJLZSK-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.07
Rot. Bonds6

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

2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258862) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258862
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCNC(=O)CCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-12-6(14)2-3-13(4-7(15)16)5-8(9,10)11/h2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyZGBVECPWOJLZSK-UHFFFAOYSA-N
XLogP0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)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

Related Compounds

2-[[(3S)-3-amino-4,4,4-trifluorobutanoyl]amino]acetic acid
CID 22884231
2-[(3-Amino-4,4-difluorobutanoyl)amino]acetic acid
CID 53861254
3-[[2-(Dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid
CID 87130165
N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
CID 87130167
3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
CID 87228836
(2S)-2-[3-aminopropanoyl(ethyl)amino]propanoic acid;2,2,2-trifluoroacetic acid
CID 90113707
3-(Carbonofluoridoylamino)propyl-(carboxymethyl)-dimethylazanium
CID 130261864
Carboxymethyl-[3-[[3-(dimethylamino)-2,2,3,3-tetrafluoropropanoyl]amino]propyl]-dimethylazanium
CID 130262543
N-betaine propyl perfluoroethane amide
CID 130266449
N-betaine propyl perfluoropropane amide
CID 130266740
2-[[2-(Aminomethyl)-3,3,3-trifluoropropanoyl]amino]acetic acid
CID 140388043
(Perfluoroacetamido)-3-betaine
CID 140799675

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258862) is 2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CNC(=O)CCN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ZGBVECPWOJLZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-12-6(14)2-3-13(4-7(15)16)5-8(9,10)11/h2-5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 242.20 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).