(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid

C11H17F3N2O5 — CID 107827131

IUPAC(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCCN(CC(F)(F)F)C(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H17F3N2O5/c1-3-16(6-11(12,13)14)10(20)15-7(9(18)19)4-5-8(17)21-2/h7H,3-6H2,1-2H3,(H,15,20)(H,18,19)/t7-/m1/s1
InChIKeyNKCOPOLYGZAXKH-SSDOTTSWSA-N
MW314.26 g/mol
LogP0.99
Rot. Bonds7

About (2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107827131) has the molecular formula C11H17F3N2O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is (2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107827131
Molecular FormulaC11H17F3N2O5
Molecular Weight314.26 g/mol
Exact Mass314.11
IUPAC Name(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCCN(CC(F)(F)F)C(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H17F3N2O5/c1-3-16(6-11(12,13)14)10(20)15-7(9(18)19)4-5-8(17)21-2/h7H,3-6H2,1-2H3,(H,15,20)(H,18,19)/t7-/m1/s1
InChIKeyNKCOPOLYGZAXKH-SSDOTTSWSA-N
XLogP0.99
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826443
(2R)-5-methoxy-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107828176
(2R)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827291
(2R)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829573
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828313
(2S)-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanedioic acid
CID 107481977
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 107481947
(2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid
CID 107828628
(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824456
(2S)-2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005859
(2R)-2-[(2-tert-butylsulfanylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820679
(2R)-2-[[butyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005321

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid (CID 107827131) is (2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid is CCN(CC(F)(F)F)C(=O)N[C@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is NKCOPOLYGZAXKH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17F3N2O5/c1-3-16(6-11(12,13)14)10(20)15-7(9(18)19)4-5-8(17)21-2/h7H,3-6H2,1-2H3,(H,15,20)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 314.26 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107827131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).