2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

C10H16F2N2O3 — CID 115408000

IUPAC2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC(F)F)NCC1CCCC1C(=O)O
InChIInChI=1S/C10H16F2N2O3/c11-8(12)5-14-10(17)13-4-6-2-1-3-7(6)9(15)16/h6-8H,1-5H2,(H,15,16)(H2,13,14,17)
InChIKeyOSUDEHJNYKIQAC-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.05
Rot. Bonds5

About 2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 115408000) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID115408000
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC(F)F)NCC1CCCC1C(=O)O
InChIInChI=1S/C10H16F2N2O3/c11-8(12)5-14-10(17)13-4-6-2-1-3-7(6)9(15)16/h6-8H,1-5H2,(H,15,16)(H2,13,14,17)
InChIKeyOSUDEHJNYKIQAC-UHFFFAOYSA-N
XLogP1.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2,2-Trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55146543
3-(3,3,3-Trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175732
3-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042828
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044110
3-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044285
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044286
2-[1-[(3,3,3-Trifluoropropylcarbamoylamino)methyl]cyclohexyl]acetic acid
CID 63227864
4-[2-(2,2,2-Trifluoroethylcarbamoylamino)ethyl]heptanoic acid
CID 64345950
5-Methyl-4-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]hexanoic acid
CID 64346128
5-Methyl-4-[2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]hexanoic acid
CID 64346514
4-[2-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethyl]heptanoic acid
CID 64346541
4-[2-(3,3,3-Trifluoropropylcarbamoylamino)ethyl]heptanoic acid
CID 64347725

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (CID 115408000) is 2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is O=C(NCC(F)F)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is OSUDEHJNYKIQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c11-8(12)5-14-10(17)13-4-6-2-1-3-7(6)9(15)16/h6-8H,1-5H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 250.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115408000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).