diethyl (2R)-2-acetyl-2-aminopentanedioate

C11H19NO5 — CID 139979489

IUPACdiethyl (2R)-2-acetyl-2-aminopentanedioate
SMILESCCOC(=O)CC[C@@](N)(C(C)=O)C(=O)OCC
InChIInChI=1S/C11H19NO5/c1-4-16-9(14)6-7-11(12,8(3)13)10(15)17-5-2/h4-7,12H2,1-3H3/t11-/m1/s1
InChIKeyJRBVGPHCWBTJPF-LLVKDONJSA-N
MW245.27 g/mol
LogP0.18
Rot. Bonds7

About diethyl (2R)-2-acetyl-2-aminopentanedioate

diethyl (2R)-2-acetyl-2-aminopentanedioate (PubChem CID 139979489) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is diethyl (2R)-2-acetyl-2-aminopentanedioate.

Molecular Properties

Compound Namediethyl (2R)-2-acetyl-2-aminopentanedioate
PubChem CID139979489
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namediethyl (2R)-2-acetyl-2-aminopentanedioate
SMILESCCOC(=O)CC[C@@](N)(C(C)=O)C(=O)OCC
InChIInChI=1S/C11H19NO5/c1-4-16-9(14)6-7-11(12,8(3)13)10(15)17-5-2/h4-7,12H2,1-3H3/t11-/m1/s1
InChIKeyJRBVGPHCWBTJPF-LLVKDONJSA-N
XLogP0.18
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.18
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

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CID 90920632
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CID 54436079
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CID 87068761
1-O,5-O-ditert-butyl 3-O-ethyl 3-acetylpentane-1,3,5-tricarboxylate
CID 59379790
ethyl 4,4-dihydroxypentanoate
CID 123268886
ethyl 4-(ethylamino)-4-methylpentanoate
CID 89155983
ethyl 5-amino-4,4-difluoro-5-oxopentanoate
CID 86647023
ethyl 4,4-diethoxypentanoate
CID 523027
diethyl 4,4,5,5,6,6,7,7-octafluorodecanedioate
CID 15093646
ethyl 4-ethyl-4-phosphanylhexanoate
CID 174578933
diethyl 2-methyl-2-nitropentanedioate
CID 10060515
triethyl 3-diethoxyphosphorylpentane-1,3,5-tricarboxylate
CID 15811792

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-acetyl-2-aminopentanedioate?
The IUPAC name of diethyl (2R)-2-acetyl-2-aminopentanedioate (CID 139979489) is diethyl (2R)-2-acetyl-2-aminopentanedioate.
What is the SMILES notation for diethyl (2R)-2-acetyl-2-aminopentanedioate?
The canonical SMILES for diethyl (2R)-2-acetyl-2-aminopentanedioate is CCOC(=O)CC[C@@](N)(C(C)=O)C(=O)OCC.
What is the InChIKey of diethyl (2R)-2-acetyl-2-aminopentanedioate?
The InChIKey is JRBVGPHCWBTJPF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19NO5/c1-4-16-9(14)6-7-11(12,8(3)13)10(15)17-5-2/h4-7,12H2,1-3H3/t11-/m1/s1.
What are the key properties of diethyl (2R)-2-acetyl-2-aminopentanedioate?
diethyl (2R)-2-acetyl-2-aminopentanedioate has a molecular weight of 245.27 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-acetyl-2-aminopentanedioate is sourced from PubChem (CID 139979489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).