2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid

C10H15F3N2O3 — CID 64815987

IUPAC2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCCC(F)(F)F)NC1CCCC1C(=O)O
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)4-5-14-9(18)15-7-3-1-2-6(7)8(16)17/h6-7H,1-5H2,(H,16,17)(H2,14,15,18)
InChIKeyVMVFLVRGIIJHQT-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.49
Rot. Bonds4

About 2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid

2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 64815987) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID64815987
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCCC(F)(F)F)NC1CCCC1C(=O)O
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)4-5-14-9(18)15-7-3-1-2-6(7)8(16)17/h6-7H,1-5H2,(H,16,17)(H2,14,15,18)
InChIKeyVMVFLVRGIIJHQT-UHFFFAOYSA-N
XLogP1.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175732
trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 84689581
2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 107817216
2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815766
2-(3-methoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817862
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816179
2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114469505
2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817296
2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817864
cis-(1R,3S)-3-(4,4,4-trifluorobutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173658
2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816743
2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 64815987) is 2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCCC(F)(F)F)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is VMVFLVRGIIJHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)4-5-14-9(18)15-7-3-1-2-6(7)8(16)17/h6-7H,1-5H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid?
2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.49, 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)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).