3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid

C7H8F3NO5 — CID 82325823

IUPAC3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO5/c8-7(9,10)6(16)11(3-5(14)15)2-1-4(12)13/h1-3H2,(H,12,13)(H,14,15)
InChIKeyUCNUETLMXPCHIR-UHFFFAOYSA-N
MW243.14 g/mol
LogP-0.06
Rot. Bonds5

About 3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid

3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 82325823) has the molecular formula C7H8F3NO5 and a molecular weight of 243.14 g/mol. Its IUPAC name is 3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID82325823
Molecular FormulaC7H8F3NO5
Molecular Weight243.14 g/mol
Exact Mass243.04
IUPAC Name3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO5/c8-7(9,10)6(16)11(3-5(14)15)2-1-4(12)13/h1-3H2,(H,12,13)(H,14,15)
InChIKeyUCNUETLMXPCHIR-UHFFFAOYSA-N
XLogP-0.06
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-Oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 23539839
3-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 61000945
2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 62626751
1-(2,2,2-Trifluoroacetyl)aziridine-2-carboxylic acid
CID 87123078
(2S)-2-[acetyl(ethyl)amino]-2,3,3-trifluoropropanoic acid
CID 87382971
2-[3-Hydroxypropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 87485098
2-[2,2-Difluorobutanoyl(methyl)amino]acetic acid
CID 88907353
(2S)-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 94520530
(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 141046554
(2R)-2-(diacetylamino)-3,3,3-trifluoropropanoic acid
CID 145858385
2-[Methyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 16776833
2-[Acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 57373286

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of 3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 82325823) is 3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for 3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is O=C(O)CCN(CC(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of 3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is UCNUETLMXPCHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO5/c8-7(9,10)6(16)11(3-5(14)15)2-1-4(12)13/h1-3H2,(H,12,13)(H,14,15).
What are the key properties of 3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 243.14 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 82325823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).