2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate

C14H26F2N2O2 — CID 129226596

IUPAC2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate
SMILESCC(C)COC(=O)C[C@@H](N)CCN1CCC(F)(F)CC1
InChIInChI=1S/C14H26F2N2O2/c1-11(2)10-20-13(19)9-12(17)3-6-18-7-4-14(15,16)5-8-18/h11-12H,3-10,17H2,1-2H3/t12-/m0/s1
InChIKeyVIHLWWDTDGXZSR-LBPRGKRZSA-N
MW292.37 g/mol
LogP2.02
Rot. Bonds7

About 2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate

2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate (PubChem CID 129226596) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate.

Molecular Properties

Compound Name2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate
PubChem CID129226596
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Name2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate
SMILESCC(C)COC(=O)C[C@@H](N)CCN1CCC(F)(F)CC1
InChIInChI=1S/C14H26F2N2O2/c1-11(2)10-20-13(19)9-12(17)3-6-18-7-4-14(15,16)5-8-18/h11-12H,3-10,17H2,1-2H3/t12-/m0/s1
InChIKeyVIHLWWDTDGXZSR-LBPRGKRZSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5,5-difluoropiperidine-3-carboxylate
CID 83854708
Tert-butyl 3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoate
CID 129204520
tert-butyl (3S)-3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoate
CID 129204521
Tert-butyl 3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate
CID 129204673
tert-butyl (3S)-3-amino-5-(2,2-difluoropiperidin-1-yl)pentanoate
CID 129204674
Tert-butyl 3-amino-5-(2,3-difluoropiperidin-1-yl)pentanoate
CID 129204676
Tert-butyl 3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate
CID 129204957
tert-butyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate
CID 129204958
3-Amino-5-(4,4-difluoropiperidin-1-yl)pentanoic acid
CID 129219769
3-Amino-5-(3,3-difluoropiperidin-1-yl)pentanoic acid
CID 129219829
3-Amino-5-(2,2-difluoropiperidin-1-yl)pentanoic acid
CID 129219919
2-methylpropyl (3S)-3-amino-5-(3,3-difluoropiperidin-1-yl)pentanoate
CID 129226492

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate?
The IUPAC name of 2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate (CID 129226596) is 2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate.
What is the SMILES notation for 2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate?
The canonical SMILES for 2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate is CC(C)COC(=O)C[C@@H](N)CCN1CCC(F)(F)CC1.
What is the InChIKey of 2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate?
The InChIKey is VIHLWWDTDGXZSR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-11(2)10-20-13(19)9-12(17)3-6-18-7-4-14(15,16)5-8-18/h11-12H,3-10,17H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate?
2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate has a molecular weight of 292.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (3S)-3-amino-5-(4,4-difluoropiperidin-1-yl)pentanoate is sourced from PubChem (CID 129226596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).