diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate

C14H23NO6 — CID 103519956

IUPACdiethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate
SMILESCCOC(=O)C(NC(=O)CC1(OC)CCC1)C(=O)OCC
InChIInChI=1S/C14H23NO6/c1-4-20-12(17)11(13(18)21-5-2)15-10(16)9-14(19-3)7-6-8-14/h11H,4-9H2,1-3H3,(H,15,16)
InChIKeyMRYZJLXXVCNSAE-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.56
Rot. Bonds8

About diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate

diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate (PubChem CID 103519956) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate
PubChem CID103519956
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Namediethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate
SMILESCCOC(=O)C(NC(=O)CC1(OC)CCC1)C(=O)OCC
InChIInChI=1S/C14H23NO6/c1-4-20-12(17)11(13(18)21-5-2)15-10(16)9-14(19-3)7-6-8-14/h11H,4-9H2,1-3H3,(H,15,16)
InChIKeyMRYZJLXXVCNSAE-UHFFFAOYSA-N
XLogP0.56
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103520334
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
CID 103555686
2-(1-methoxycyclobutyl)-N-(2-methylpropoxy)acetamide
CID 103525817
N-[(1-ethylcyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 119047801
4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid
CID 103555576
N-[1-(4-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide
CID 103555376
N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558313
diethyl 2-(butanoylamino)propanedioate
CID 13130446
N-(2-amino-1-phenylethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558356
N-(2-amino-2-oxoethoxy)-2-(1-methoxycyclobutyl)acetamide
CID 103526839
2-cyclohexyl-2-[[2-(1-methoxycyclobutyl)acetyl]amino]acetic acid
CID 103555560

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate?
The IUPAC name of diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate (CID 103519956) is diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate.
What is the SMILES notation for diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate?
The canonical SMILES for diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate is CCOC(=O)C(NC(=O)CC1(OC)CCC1)C(=O)OCC.
What is the InChIKey of diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate?
The InChIKey is MRYZJLXXVCNSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-4-20-12(17)11(13(18)21-5-2)15-10(16)9-14(19-3)7-6-8-14/h11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate?
diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate has a molecular weight of 301.34 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate is sourced from PubChem (CID 103519956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).