tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate

C15H27NO4 — CID 106707456

IUPACtert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)NCCOC1CCCC1
InChIInChI=1S/C15H27NO4/c1-15(2,3)20-14(18)9-8-13(17)16-10-11-19-12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyBKFCSBQEYZGULF-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.18
Rot. Bonds7

About tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate

tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate (PubChem CID 106707456) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
PubChem CID106707456
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)NCCOC1CCCC1
InChIInChI=1S/C15H27NO4/c1-15(2,3)20-14(18)9-8-13(17)16-10-11-19-12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyBKFCSBQEYZGULF-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 61150779
tert-butyl 2-(2-cyclopentyloxyethylamino)acetate
CID 63826969
6-amino-N-(2-cyclopentyloxyethyl)-4,4-dimethylhexanamide
CID 65291239
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920
N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
CID 107030121
tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate
CID 170141063
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
4-chloro-N-(2-cyclopentyloxyethyl)butanamide
CID 63828950
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
CID 106707401
4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
CID 119325380

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate?
The IUPAC name of tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate (CID 106707456) is tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate is CC(C)(C)OC(=O)CCC(=O)NCCOC1CCCC1.
What is the InChIKey of tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate?
The InChIKey is BKFCSBQEYZGULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-15(2,3)20-14(18)9-8-13(17)16-10-11-19-12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate?
tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate has a molecular weight of 285.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate is sourced from PubChem (CID 106707456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).