2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C12H17F3N2O3 — CID 106216436

IUPAC2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11(4-5-11)17-10(20)16-6-7-2-1-3-8(7)9(18)19/h7-8H,1-6H2,(H,18,19)(H2,16,17,20)
InChIKeyBRMPDKNPZHCLEB-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.88
Rot. Bonds4

About 2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid

2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 106216436) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID106216436
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11(4-5-11)17-10(20)16-6-7-2-1-3-8(7)9(18)19/h7-8H,1-6H2,(H,18,19)(H2,16,17,20)
InChIKeyBRMPDKNPZHCLEB-UHFFFAOYSA-N
XLogP1.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.88
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-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044284
4-[2-(2,2,2-Trifluoroethylcarbamoylamino)ethyl]heptanoic acid
CID 64345950
4-[2-(3,3,3-Trifluoropropylcarbamoylamino)ethyl]heptanoic acid
CID 64347725
2-[1-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700073
2-[1-(2,2,2-Trifluoroethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701412
2-[1-(3,3,3-Trifluoropropylcarbamoylamino)cyclopentyl]acetic acid
CID 64701682
2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702259
2-[1-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 65538918
2-[(3,3,3-Trifluoropropylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 65880828
2-[(2,2,2-Trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 65882956

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 106216436) is 2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1CCCC1C(=O)O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is BRMPDKNPZHCLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)11(4-5-11)17-10(20)16-6-7-2-1-3-8(7)9(18)19/h7-8H,1-6H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 294.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106216436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).