2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid

C6H9F3N2O3 — CID 63227637

IUPAC2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NCCC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)1-2-10-5(14)11-3-4(12)13/h1-3H2,(H,12,13)(H2,10,11,14)
InChIKeySFBDGFFUFHSUTP-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.32
Rot. Bonds4

About 2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid

2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid (PubChem CID 63227637) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid
PubChem CID63227637
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Name2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NCCC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)1-2-10-5(14)11-3-4(12)13/h1-3H2,(H,12,13)(H2,10,11,14)
InChIKeySFBDGFFUFHSUTP-UHFFFAOYSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid?
The IUPAC name of 2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid (CID 63227637) is 2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid is O=C(O)CNC(=O)NCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid?
The InChIKey is SFBDGFFUFHSUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c7-6(8,9)1-2-10-5(14)11-3-4(12)13/h1-3H2,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid?
2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid has a molecular weight of 214.14 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylcarbamoylamino)acetic acid is sourced from PubChem (CID 63227637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).