cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C12H19F3N2O3 — CID 106319567

IUPACcis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H19F3N2O3/c1-7(2)17(6-12(13,14)15)11(20)16-9-4-3-8(5-9)10(18)19/h7-9H,3-6H2,1-2H3,(H,16,20)(H,18,19)/t8-,9+/m1/s1
InChIKeyLBXNIWQJENQNLB-BDAKNGLRSA-N
MW296.29 g/mol
LogP2.22
Rot. Bonds4

About cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319567) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319567
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Namecis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H19F3N2O3/c1-7(2)17(6-12(13,14)15)11(20)16-9-4-3-8(5-9)10(18)19/h7-9H,3-6H2,1-2H3,(H,16,20)(H,18,19)/t8-,9+/m1/s1
InChIKeyLBXNIWQJENQNLB-BDAKNGLRSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

Methyl 3-(2,2-difluoroethylcarbamoylamino)cyclopentane-1-carboxylate
CID 91652694
3-(Acetamidomethyl)-4-aminocyclopentane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 157694372
(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid
CID 170330280
rac-(1R,3S)-3-(trifluoroacetamido)cyclopentane-1-carboxylic acid
CID 11107015
4-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61204394
4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61606968
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61607358
4-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61607664
6-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methylhexanoic acid
CID 64364616
4-Methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 64364618
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64816738
2-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817325

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319567) is cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CC(C)N(CC(F)(F)F)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LBXNIWQJENQNLB-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-7(2)17(6-12(13,14)15)11(20)16-9-4-3-8(5-9)10(18)19/h7-9H,3-6H2,1-2H3,(H,16,20)(H,18,19)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).