2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid

C7H10F3NO5 — CID 63901716

IUPAC2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5/c8-7(9,10)4(12)1-11(2-5(13)14)3-6(15)16/h4,12H,1-3H2,(H,13,14)(H,15,16)
InChIKeyJWTAANMKZAQRFP-UHFFFAOYSA-N
MW245.15 g/mol
LogP-0.62
Rot. Bonds6

About 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid

2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid (PubChem CID 63901716) has the molecular formula C7H10F3NO5 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
PubChem CID63901716
Molecular FormulaC7H10F3NO5
Molecular Weight245.15 g/mol
Exact Mass245.05
IUPAC Name2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5/c8-7(9,10)4(12)1-11(2-5(13)14)3-6(15)16/h4,12H,1-3H2,(H,13,14)(H,15,16)
InChIKeyJWTAANMKZAQRFP-UHFFFAOYSA-N
XLogP-0.62
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)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-[prop-2-ynyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 79275243
2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 107426053
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63900475
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid
CID 158317116
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid
CID 4083060
3-(dibutylamino)-1,1,1-trifluoropropan-2-ol
CID 63901016
2-[2-[bis(carboxymethyl)amino]ethyl-(2,2-dihydroxyethyl)amino]acetic acid
CID 6394180
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid
CID 103371514
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid (CID 63901716) is 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC(O)C(F)(F)F.
What is the InChIKey of 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The InChIKey is JWTAANMKZAQRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO5/c8-7(9,10)4(12)1-11(2-5(13)14)3-6(15)16/h4,12H,1-3H2,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid has a molecular weight of 245.15 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid is sourced from PubChem (CID 63901716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).