4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide

C10H19F2N3O3 — CID 134200015

IUPAC4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide
SMILESNCC(O)C(F)(F)C(=O)NCCN1CCOCC1
InChIInChI=1S/C10H19F2N3O3/c11-10(12,8(16)7-13)9(17)14-1-2-15-3-5-18-6-4-15/h8,16H,1-7,13H2,(H,14,17)
InChIKeyHILQDZFTWWBREL-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.61
Rot. Bonds6

About 4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide

4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 134200015) has the molecular formula C10H19F2N3O3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID134200015
Molecular FormulaC10H19F2N3O3
Molecular Weight267.28 g/mol
Exact Mass267.14
IUPAC Name4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide
SMILESNCC(O)C(F)(F)C(=O)NCCN1CCOCC1
InChIInChI=1S/C10H19F2N3O3/c11-10(12,8(16)7-13)9(17)14-1-2-15-3-5-18-6-4-15/h8,16H,1-7,13H2,(H,14,17)
InChIKeyHILQDZFTWWBREL-UHFFFAOYSA-N
XLogP-1.61
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide (CID 134200015) is 4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide is NCC(O)C(F)(F)C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is HILQDZFTWWBREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O3/c11-10(12,8(16)7-13)9(17)14-1-2-15-3-5-18-6-4-15/h8,16H,1-7,13H2,(H,14,17).
What are the key properties of 4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide?
4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 267.28 g/mol, XLogP of -1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 134200015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).