2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid

C9H12F3NO3 — CID 43655099

IUPAC2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CC(F)(F)F
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)3-7(14)13(5-8(15)16)4-6-1-2-6/h6H,1-5H2,(H,15,16)
InChIKeyFPQFEJOJPGITNA-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.26
Rot. Bonds5

About 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid

2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid (PubChem CID 43655099) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
PubChem CID43655099
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CC(F)(F)F
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)3-7(14)13(5-8(15)16)4-6-1-2-6/h6H,1-5H2,(H,15,16)
InChIKeyFPQFEJOJPGITNA-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropyl-N-methylformamido)acetic acid
CID 16778147
2-[2,2-Difluorobutanoyl(methyl)amino]acetic acid
CID 88907353
n-Isobutyl-n-(2,2,2-trifluoroacetyl)glycine
CID 11401896
2-[Methyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 16776833
2-[Cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 43656564
2-[Cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826230
2-[Cyclopropylmethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 60890840
2-[Cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid
CID 60922416
2-[N-(cyclopropylmethyl)-2,2,2-trifluoroacetamido]acetic acid
CID 60999736
2-(N-cyclopropyl-2,2,2-trifluoroacetamido)acetic acid
CID 61000683
2-[Propyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 61011804
2-[Ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 61022478

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid (CID 43655099) is 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)CC(F)(F)F.
What is the InChIKey of 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The InChIKey is FPQFEJOJPGITNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c10-9(11,12)3-7(14)13(5-8(15)16)4-6-1-2-6/h6H,1-5H2,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid has a molecular weight of 239.19 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid is sourced from PubChem (CID 43655099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).