1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol

C12H25FN2O3 — CID 123492064

IUPAC1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol
SMILESCCC(C)C(NC(O)OC)C(O)N1CCC(F)C1
InChIInChI=1S/C12H25FN2O3/c1-4-8(2)10(14-12(17)18-3)11(16)15-6-5-9(13)7-15/h8-12,14,16-17H,4-7H2,1-3H3
InChIKeyOEQCBBZCDCVSND-UHFFFAOYSA-N
MW264.34 g/mol
LogP0.28
Rot. Bonds7

About 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol

1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol (PubChem CID 123492064) has the molecular formula C12H25FN2O3 and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol
PubChem CID123492064
Molecular FormulaC12H25FN2O3
Molecular Weight264.34 g/mol
Exact Mass264.18
IUPAC Name1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol
SMILESCCC(C)C(NC(O)OC)C(O)N1CCC(F)C1
InChIInChI=1S/C12H25FN2O3/c1-4-8(2)10(14-12(17)18-3)11(16)15-6-5-9(13)7-15/h8-12,14,16-17H,4-7H2,1-3H3
InChIKeyOEQCBBZCDCVSND-UHFFFAOYSA-N
XLogP0.28
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-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

methyl N-[(2S)-1-[(2R,4R)-4-fluoro-2-methylpyrrolidin-1-yl]-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 66837199
1-(3,3-Difluoropyrrolidin-1-yl)-2-(methoxymethylamino)-3-methylbutan-1-ol
CID 123726990
(2S)-1-[(2S)-2-aminopyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]-3-methylbutan-1-ol
CID 66837370
(2S)-2-[[hydroxy(methoxy)methyl]amino]-3-methyl-1-[(2R)-2-methylpyrrolidin-1-yl]butan-1-ol
CID 66837371
1-[2-Aminoethyl(propyl)amino]-2-[[hydroxy(methoxy)methyl]amino]-3-methylbutan-1-ol
CID 123219191
1-[2-(Diaminomethyl)pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]-3-methylbutan-1-ol
CID 123941937
2-[(1,5-Dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol
CID 115891683

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol?
The IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol (CID 123492064) is 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol.
What is the SMILES notation for 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol?
The canonical SMILES for 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol is CCC(C)C(NC(O)OC)C(O)N1CCC(F)C1.
What is the InChIKey of 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol?
The InChIKey is OEQCBBZCDCVSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O3/c1-4-8(2)10(14-12(17)18-3)11(16)15-6-5-9(13)7-15/h8-12,14,16-17H,4-7H2,1-3H3.
What are the key properties of 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol?
1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol has a molecular weight of 264.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol is sourced from PubChem (CID 123492064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).