(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide

C11H20F2N2O2 — CID 171594257

IUPAC(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide
SMILESC[C@@H](OCC1CCC(F)(F)CC1)[C@H](N)C(N)=O
InChIInChI=1S/C11H20F2N2O2/c1-7(9(14)10(15)16)17-6-8-2-4-11(12,13)5-3-8/h7-9H,2-6,14H2,1H3,(H2,15,16)/t7-,9+/m1/s1
InChIKeyTVGNGHACTLRPCG-APPZFPTMSA-N
MW250.29 g/mol
LogP1.03
Rot. Bonds5

About (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide

(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide (PubChem CID 171594257) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide
PubChem CID171594257
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide
SMILESC[C@@H](OCC1CCC(F)(F)CC1)[C@H](N)C(N)=O
InChIInChI=1S/C11H20F2N2O2/c1-7(9(14)10(15)16)17-6-8-2-4-11(12,13)5-3-8/h7-9H,2-6,14H2,1H3,(H2,15,16)/t7-,9+/m1/s1
InChIKeyTVGNGHACTLRPCG-APPZFPTMSA-N
XLogP1.03
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane
CID 164604020
(2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide
CID 164604399
(2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide
CID 164604591
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide
CID 171593892
2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide
CID 164604021
(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604443
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604619
(2R,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 166553823
(3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 170757797
2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 175494968
2-Amino-3-(3-methylcyclohexyl)oxypropanamide
CID 61952631
2-Amino-3-(2-methylcyclohexyl)oxypropanamide
CID 61953360

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide?
The IUPAC name of (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide (CID 171594257) is (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide?
The canonical SMILES for (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide is C[C@@H](OCC1CCC(F)(F)CC1)[C@H](N)C(N)=O.
What is the InChIKey of (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide?
The InChIKey is TVGNGHACTLRPCG-APPZFPTMSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-7(9(14)10(15)16)17-6-8-2-4-11(12,13)5-3-8/h7-9H,2-6,14H2,1H3,(H2,15,16)/t7-,9+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide?
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide has a molecular weight of 250.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide is sourced from PubChem (CID 171594257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).