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

C10H14F3NO3 — CID 60826431

IUPAC2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-8(15)14(6-9(16)17)7-3-1-2-4-7/h7H,1-6H2,(H,16,17)
InChIKeyICQQFMURRCLNJW-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.79
Rot. Bonds4

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

2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid (PubChem CID 60826431) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid
PubChem CID60826431
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-8(15)14(6-9(16)17)7-3-1-2-4-7/h7H,1-6H2,(H,16,17)
InChIKeyICQQFMURRCLNJW-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid
CID 87613911
2-[Cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826230
2-[Butan-2-yl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60829896
2-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60832356
2-[Cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 60833966
2-[Cyclopentyl(2,2-difluoroethyl)amino]acetic acid
CID 60922809
2-(N-cyclopentyl-2,2,2-trifluoroacetamido)acetic acid
CID 61000446
2-[N-(butan-2-yl)-2,2,2-trifluoroacetamido]acetic acid
CID 61000684
2-[Cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171963
2-[Cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64567353
2-[Propan-2-yl(4,4,4-trifluorobutanoyl)amino]acetic acid
CID 65710280
2-[Cyclopentyl(4,4,4-trifluorobutanoyl)amino]acetic acid
CID 65710678

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid (CID 60826431) is 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid is O=C(O)CN(C(=O)CC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The InChIKey is ICQQFMURRCLNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)5-8(15)14(6-9(16)17)7-3-1-2-4-7/h7H,1-6H2,(H,16,17).
What are the key properties of 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid has a molecular weight of 253.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid is sourced from PubChem (CID 60826431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).