deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate

C7H13NO2 — CID 90022075

IUPACdeuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate
SMILES[2H]OC(=O)[C@@]([2H])(N)C1CCCC1
InChIInChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1/i6D/hD
InChIKeyXBPKRVHTESHFAA-GRXCFUHNSA-N
MW145.20 g/mol
LogP0.59
Rot. Bonds2

About deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate

deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate (PubChem CID 90022075) has the molecular formula C7H13NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate.

Molecular Properties

Compound Namedeuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate
PubChem CID90022075
Molecular FormulaC7H13NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namedeuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate
SMILES[2H]OC(=O)[C@@]([2H])(N)C1CCCC1
InChIInChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1/i6D/hD
InChIKeyXBPKRVHTESHFAA-GRXCFUHNSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dicyclopentyl(deuterio)methanol
CID 159152479
3-amino-2-cyclopentylbutanoic acid
CID 131138399
2-amino-3-cyclopentyl-3-sulfanylpropanoic acid
CID 23653013
2,3-dicyclopentylbutanedioic acid
CID 141323160
2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid
CID 157474717
(1S)-1-amino-1-cyclohexylpropan-2-one
CID 59946338
1-amino-1-cycloheptylpropan-2-one
CID 54549167
(3S)-3-cyclopentyl-3-deuteriobutan-2-one
CID 155929625
(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone
CID 88971948
(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
CID 126487606
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
CID 143700706

Frequently Asked Questions

What is the IUPAC name of deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate?
The IUPAC name of deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate (CID 90022075) is deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate.
What is the SMILES notation for deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate?
The canonical SMILES for deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate is [2H]OC(=O)[C@@]([2H])(N)C1CCCC1.
What is the InChIKey of deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate?
The InChIKey is XBPKRVHTESHFAA-GRXCFUHNSA-N. The full InChI is InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1/i6D/hD.
What are the key properties of deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate?
deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate has a molecular weight of 145.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate is sourced from PubChem (CID 90022075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).