2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid

C13H24F2N2O2 — CID 162475430

IUPAC2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(C)(C)C)CC(F)(F)C1
InChIInChI=1S/C13H24F2N2O2/c1-12(2,3)17-7-10(5-13(14,15)9-17)6-16(4)8-11(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyDAFPBHXJFUMQDQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.76
Rot. Bonds4

About 2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid

2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid (PubChem CID 162475430) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid
PubChem CID162475430
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Name2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(C)(C)C)CC(F)(F)C1
InChIInChI=1S/C13H24F2N2O2/c1-12(2,3)17-7-10(5-13(14,15)9-17)6-16(4)8-11(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyDAFPBHXJFUMQDQ-UHFFFAOYSA-N
XLogP1.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methylsulfanyl]acetic acid
CID 139341867
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-[(5,5-difluoro-1-propan-2-ylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 139341669
2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid
CID 167948584
2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 155049752
3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid
CID 162475426
2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid
CID 130218244
1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 155624492
2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid
CID 79695047
2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043734
2-[fluoromethyl(methyl)amino]acetic acid
CID 87673073
1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine
CID 146244489

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid (CID 162475430) is 2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(C(C)(C)C)CC(F)(F)C1.
What is the InChIKey of 2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid?
The InChIKey is DAFPBHXJFUMQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-12(2,3)17-7-10(5-13(14,15)9-17)6-16(4)8-11(18)19/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid?
2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid has a molecular weight of 278.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 162475430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).