cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate

C11H19NO3 — CID 97115095

IUPACcis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCC[C@]1(N)C=O
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)8-5-4-6-11(8,12)7-13/h7-8H,4-6,12H2,1-3H3/t8-,11-/m0/s1
InChIKeyHXISAKDBCXECSZ-KWQFWETISA-N
MW213.28 g/mol
LogP1.02
Rot. Bonds2

About cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate

cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate (PubChem CID 97115095) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate
PubChem CID97115095
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namecis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCC[C@]1(N)C=O
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)8-5-4-6-11(8,12)7-13/h7-8H,4-6,12H2,1-3H3/t8-,11-/m0/s1
InChIKeyHXISAKDBCXECSZ-KWQFWETISA-N
XLogP1.02
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-butyl spiro[4.5]decane-4-carboxylate
CID 66658048
trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate
CID 68828762
tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate
CID 155469441
trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 69457377
tert-butyl 1-aminocyclohexane-1-carboxylate;formic acid
CID 174428649
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
ditert-butyl 1-chlorocyclopropane-1,2-dicarboxylate
CID 23158970
tert-butyl (1R,3R,4R)-1-amino-3,4-dimethylcyclohexane-1-carboxylate
CID 125426362
tert-butyl (1S,4aR,9aR)-9a-hydroxy-4a-methyl-5-oxo-1,2,3,4,6,7,8,9-octahydrobenzo[7]annulene-1-carboxylate
CID 25258079
1-O-tert-butyl 2-O-methyl 1-hydroxycyclohexane-1,2-dicarboxylate
CID 141117000
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl 2,2-difluoro-5-hydroxycyclohexane-1-carboxylate
CID 57058666

Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate (CID 97115095) is cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCC[C@]1(N)C=O.
What is the InChIKey of cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate?
The InChIKey is HXISAKDBCXECSZ-KWQFWETISA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)8-5-4-6-11(8,12)7-13/h7-8H,4-6,12H2,1-3H3/t8-,11-/m0/s1.
What are the key properties of cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate?
cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate is sourced from PubChem (CID 97115095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).