2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

C9H13F3N2O3 — CID 43655992

IUPAC2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-8(17)14(4-7(15)16)3-6-1-2-6/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeySYOOXSBCHPWEAU-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.05
Rot. Bonds5

About 2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (PubChem CID 43655992) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
PubChem CID43655992
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-8(17)14(4-7(15)16)3-6-1-2-6/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeySYOOXSBCHPWEAU-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
CID 43656735
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009809
(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009905
2-[Cyclopropylmethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55010135
2-[Carboxymethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
CID 55246706
2-[Cyclopropylmethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 60890840
2-[Propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 61183799
2-[Cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 61185922
2-[Butan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 61186108
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61607320
2-[Cyclopropylmethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61607391
2-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61607617

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (CID 43655992) is 2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The InChIKey is SYOOXSBCHPWEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-8(17)14(4-7(15)16)3-6-1-2-6/h6H,1-5H2,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid has a molecular weight of 254.21 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 43655992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).