tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate

C15H26N2O4 — CID 106707244

IUPACtert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)9-8-13(19)17(10-12(16)18)11-6-4-5-7-11/h11H,4-10H2,1-3H3,(H2,16,18)
InChIKeyWCDDTQLDHGTEIZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.36
Rot. Bonds6

About tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate

tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate (PubChem CID 106707244) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate
PubChem CID106707244
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)9-8-13(19)17(10-12(16)18)11-6-4-5-7-11/h11H,4-10H2,1-3H3,(H2,16,18)
InChIKeyWCDDTQLDHGTEIZ-UHFFFAOYSA-N
XLogP1.36
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate
CID 106707495
N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-hydroxybutanamide
CID 79204116
tert-butyl 2-[cyclopentyl(ethyl)amino]acetate
CID 137320187
tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate
CID 64689159
tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate
CID 106707268
ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
CID 54949005
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]-piperidin-3-ylamino]acetamide
CID 112602463
tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(propan-2-ylamino)acetamide
CID 54871672
tert-butyl 4-cyclopropyl-4-(methylamino)butanoate
CID 58488469
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate (CID 106707244) is tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate is CC(C)(C)OC(=O)CCC(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate?
The InChIKey is WCDDTQLDHGTEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)9-8-13(19)17(10-12(16)18)11-6-4-5-7-11/h11H,4-10H2,1-3H3,(H2,16,18).
What are the key properties of tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate?
tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate has a molecular weight of 298.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate is sourced from PubChem (CID 106707244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).