(2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide

C14H20F3N3O — CID 141284199

IUPAC(2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide
SMILESO=C(NC1CCCC1)[C@@H](CC(F)(F)F)NCc1cc[nH]c1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)7-12(19-9-10-5-6-18-8-10)13(21)20-11-3-1-2-4-11/h5-6,8,11-12,18-19H,1-4,7,9H2,(H,20,21)/t12-/m1/s1
InChIKeyNIGSEHJEFOIOST-GFCCVEGCSA-N
MW303.33 g/mol
LogP2.48
Rot. Bonds6

About (2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide

(2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide (PubChem CID 141284199) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide
PubChem CID141284199
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name(2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide
SMILESO=C(NC1CCCC1)[C@@H](CC(F)(F)F)NCc1cc[nH]c1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)7-12(19-9-10-5-6-18-8-10)13(21)20-11-3-1-2-4-11/h5-6,8,11-12,18-19H,1-4,7,9H2,(H,20,21)/t12-/m1/s1
InChIKeyNIGSEHJEFOIOST-GFCCVEGCSA-N
XLogP2.48
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide?
The IUPAC name of (2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide (CID 141284199) is (2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide?
The canonical SMILES for (2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide is O=C(NC1CCCC1)[C@@H](CC(F)(F)F)NCc1cc[nH]c1.
What is the InChIKey of (2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide?
The InChIKey is NIGSEHJEFOIOST-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)7-12(19-9-10-5-6-18-8-10)13(21)20-11-3-1-2-4-11/h5-6,8,11-12,18-19H,1-4,7,9H2,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide?
(2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide has a molecular weight of 303.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide is sourced from PubChem (CID 141284199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).