(2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol

C10H17F3N2O — CID 67622180

IUPAC(2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
SMILESCCCCC[C@H]1N=C(N)[C@H](O)[C@@H]1C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-2-3-4-5-6-7(10(11,12)13)8(16)9(14)15-6/h6-8,16H,2-5H2,1H3,(H2,14,15)/t6-,7-,8-/m1/s1
InChIKeyQPCOVZGFEDAINP-BWZBUEFSSA-N
MW238.25 g/mol
LogP1.85
Rot. Bonds4

About (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol

(2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol (PubChem CID 67622180) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol.

Molecular Properties

Compound Name(2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
PubChem CID67622180
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name(2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
SMILESCCCCC[C@H]1N=C(N)[C@H](O)[C@@H]1C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-2-3-4-5-6-7(10(11,12)13)8(16)9(14)15-6/h6-8,16H,2-5H2,1H3,(H2,14,15)/t6-,7-,8-/m1/s1
InChIKeyQPCOVZGFEDAINP-BWZBUEFSSA-N
XLogP1.85
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
CID 57162465
5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol
CID 57241657
(2S,3S,4R)-5-amino-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrole-4-carboxylic acid
CID 57166239
(2S,3R,4R)-3-methyl-4-methylsulfanyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
CID 67622840
6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride
CID 140986778
4-hydroxy-5-octylcyclopentane-1,2,3-trione
CID 90985729
(4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 130879354
5-pentyl-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79498006
ethyl 4-hexyl-2-methyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 11834585
2-[(4R,5R)-1-ethyl-5-hydroxy-4-octadecyl-4,5-dihydroimidazol-2-yl]acetic acid
CID 125434573
(3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid
CID 132966100
hexane;pentylcyclopropane
CID 159592467

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol?
The IUPAC name of (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol (CID 67622180) is (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol.
What is the SMILES notation for (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol?
The canonical SMILES for (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol is CCCCC[C@H]1N=C(N)[C@H](O)[C@@H]1C(F)(F)F.
What is the InChIKey of (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol?
The InChIKey is QPCOVZGFEDAINP-BWZBUEFSSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-3-4-5-6-7(10(11,12)13)8(16)9(14)15-6/h6-8,16H,2-5H2,1H3,(H2,14,15)/t6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol?
(2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol has a molecular weight of 238.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol is sourced from PubChem (CID 67622180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).