2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid

C10H13F3N2O5 — CID 63722046

IUPAC2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N2O5/c11-10(12,13)9(1-2-14-5-9)8(20)15(3-6(16)17)4-7(18)19/h14H,1-5H2,(H,16,17)(H,18,19)
InChIKeyTVPCEOMVHSBPEN-UHFFFAOYSA-N
MW298.22 g/mol
LogP-0.47
Rot. Bonds5

About 2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid

2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 63722046) has the molecular formula C10H13F3N2O5 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID63722046
Molecular FormulaC10H13F3N2O5
Molecular Weight298.22 g/mol
Exact Mass298.08
IUPAC Name2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N2O5/c11-10(12,13)9(1-2-14-5-9)8(20)15(3-6(16)17)4-7(18)19/h14H,1-5H2,(H,16,17)(H,18,19)
InChIKeyTVPCEOMVHSBPEN-UHFFFAOYSA-N
XLogP-0.47
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708749
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710571
N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710228
N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708224
N-ethyl-N-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227468
2-[ethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 63720094
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79380351
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142548
N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227271
N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709696
2-[1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid
CID 64699770

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid (CID 63722046) is 2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is TVPCEOMVHSBPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O5/c11-10(12,13)9(1-2-14-5-9)8(20)15(3-6(16)17)4-7(18)19/h14H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 298.22 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 63722046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).