(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide

C9H18F2N2O2 — CID 107571038

IUPAC(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O2/c1-2-3-7(12)9(15)13(4-5-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3/t7-/m0/s1
InChIKeyIYYWGLWJRWQPCO-ZETCQYMHSA-N
MW224.25 g/mol
LogP0.20
Rot. Bonds7

About (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide

(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide (PubChem CID 107571038) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide
PubChem CID107571038
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O2/c1-2-3-7(12)9(15)13(4-5-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3/t7-/m0/s1
InChIKeyIYYWGLWJRWQPCO-ZETCQYMHSA-N
XLogP0.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide 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

(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570616
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570615
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107483466
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 103795380
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide
CID 79024351
2-amino-N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 62473961
2-amino-N-cyclopropyl-N-(2,2-difluoroethyl)pentanamide;hydrochloride
CID 119320693
N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 107483262
(2R)-2-amino-N-hydroxy-N-methylpentanamide
CID 131057070
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479341

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide (CID 107571038) is (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide is CCC[C@H](N)C(=O)N(CCO)CC(F)F.
What is the InChIKey of (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide?
The InChIKey is IYYWGLWJRWQPCO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-2-3-7(12)9(15)13(4-5-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide?
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide has a molecular weight of 224.25 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide is sourced from PubChem (CID 107571038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).