2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid

C9H15F3N2O3 — CID 55135906

IUPAC2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-3-4-14(5-7(15)16)8(17)13(2)6-9(10,11)12/h3-6H2,1-2H3,(H,15,16)
InChIKeySVRCURFMNASIFT-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.40
Rot. Bonds5

About 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid

2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid (PubChem CID 55135906) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid
PubChem CID55135906
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-3-4-14(5-7(15)16)8(17)13(2)6-9(10,11)12/h3-6H2,1-2H3,(H,15,16)
InChIKeySVRCURFMNASIFT-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[Bis(dimethylamino)-thiophosphorosomethyl]-(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 53923718
Carboxymethyl-dimethyl-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 130266503
[[Carboxymethyl(3,3,3-trifluoropropanoyl)amino]-bis(dimethylamino)methyl]-sulfanylidenephosphanium
CID 173428498
2-[Tert-butyl-(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid
CID 176026042
2-[[Bis(dimethylamino)-thiophosphorosomethyl]-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 53705495
2-[[Bis(dipropylamino)-thiophosphorosomethyl]-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 53941560
2-[Cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 54978392
2-[Propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009471
2-[Cyclopropyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009518
2-[Ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009519
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid
CID 55009611
2-[Methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009616

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid (CID 55135906) is 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid?
The InChIKey is SVRCURFMNASIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-3-4-14(5-7(15)16)8(17)13(2)6-9(10,11)12/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid?
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid has a molecular weight of 256.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 55135906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).