(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide

C10H19F3N2O3 — CID 114274918

IUPAC(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide
SMILESC[C@@H](OC(C)(C)C)[C@H](N)C(=O)NOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-6(18-9(2,3)4)7(14)8(16)15-17-5-10(11,12)13/h6-7H,5,14H2,1-4H3,(H,15,16)/t6-,7+/m1/s1
InChIKeyUTFNQSXUFBXMFQ-RQJHMYQMSA-N
MW272.27 g/mol
LogP1.13
Rot. Bonds5

About (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide

(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 114274918) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide
PubChem CID114274918
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC Name(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide
SMILESC[C@@H](OC(C)(C)C)[C@H](N)C(=O)NOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-6(18-9(2,3)4)7(14)8(16)15-17-5-10(11,12)13/h6-7H,5,14H2,1-4H3,(H,15,16)/t6-,7+/m1/s1
InChIKeyUTFNQSXUFBXMFQ-RQJHMYQMSA-N
XLogP1.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 153463762
(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
CID 104903880
(2S,3R)-N-(2-acetamidoethyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 114274672
(2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 71360530
2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340409
methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
1-methyl-3-(2,2,2-trifluoroethoxy)urea
CID 115704057
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834
prop-2-enyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630010
prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630009
tert-butyl (2S)-2-[[(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoate
CID 175800773
2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid
CID 59170330

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide (CID 114274918) is (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide is C[C@@H](OC(C)(C)C)[C@H](N)C(=O)NOCC(F)(F)F.
What is the InChIKey of (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is UTFNQSXUFBXMFQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-6(18-9(2,3)4)7(14)8(16)15-17-5-10(11,12)13/h6-7H,5,14H2,1-4H3,(H,15,16)/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide?
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 272.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 114274918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).