2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid

C10H17F3N2O5 — CID 107481947

IUPAC2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)N(CCO)CC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O5/c1-20-5-2-7(8(17)18)14-9(19)15(3-4-16)6-10(11,12)13/h7,16H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyFWPJMLCALITNDM-UHFFFAOYSA-N
MW302.25 g/mol
LogP0.04
Rot. Bonds8

About 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid (PubChem CID 107481947) has the molecular formula C10H17F3N2O5 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid
PubChem CID107481947
Molecular FormulaC10H17F3N2O5
Molecular Weight302.25 g/mol
Exact Mass302.11
IUPAC Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)N(CCO)CC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O5/c1-20-5-2-7(8(17)18)14-9(19)15(3-4-16)6-10(11,12)13/h7,16H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyFWPJMLCALITNDM-UHFFFAOYSA-N
XLogP0.04
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanedioic acid
CID 107481977
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 107481824
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827131
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 54985894
(2R)-4-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 107826407
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2R)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829573
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826443
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085055

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid (CID 107481947) is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)N(CCO)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid?
The InChIKey is FWPJMLCALITNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O5/c1-20-5-2-7(8(17)18)14-9(19)15(3-4-16)6-10(11,12)13/h7,16H,2-6H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid?
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid has a molecular weight of 302.25 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 107481947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).