tert-butyl (3R)-3-aminocyclopentane-1-carboxylate

C10H19NO2 — CID 121277242

IUPACtert-butyl (3R)-3-aminocyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC[C@@H](N)C1
InChIInChI=1S/C10H19NO2/c1-10(2,3)13-9(12)7-4-5-8(11)6-7/h7-8H,4-6,11H2,1-3H3/t7?,8-/m1/s1
InChIKeyBHLFOLJFTRXOCQ-BRFYHDHCSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds1

About tert-butyl (3R)-3-aminocyclopentane-1-carboxylate

tert-butyl (3R)-3-aminocyclopentane-1-carboxylate (PubChem CID 121277242) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-aminocyclopentane-1-carboxylate
PubChem CID121277242
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl (3R)-3-aminocyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC[C@@H](N)C1
InChIInChI=1S/C10H19NO2/c1-10(2,3)13-9(12)7-4-5-8(11)6-7/h7-8H,4-6,11H2,1-3H3/t7?,8-/m1/s1
InChIKeyBHLFOLJFTRXOCQ-BRFYHDHCSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl cyclopropanecarboxylate
CID 157212632
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
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CID 118389091
trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 129405365
1-O-tert-butyl 3-O-methyl 4-aminocyclohexane-1,3-dicarboxylate
CID 71032749
tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23444208
trans-tert-butyl (3S,4S)-3-amino-4-hydroxycycloheptane-1-carboxylate
CID 155327795
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexanecarbonyl]cyclohexane-1-carboxylate
CID 139789043
tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate
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1-O-(aminomethyl) 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 57009798
(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;trans-(1R,3R)-3-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 158831950

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminocyclopentane-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-aminocyclopentane-1-carboxylate (CID 121277242) is tert-butyl (3R)-3-aminocyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-aminocyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-aminocyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1CC[C@@H](N)C1.
What is the InChIKey of tert-butyl (3R)-3-aminocyclopentane-1-carboxylate?
The InChIKey is BHLFOLJFTRXOCQ-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)7-4-5-8(11)6-7/h7-8H,4-6,11H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of tert-butyl (3R)-3-aminocyclopentane-1-carboxylate?
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 121277242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).