diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate

C15H26N2O7 — CID 137495952

IUPACdiethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate
SMILESCCOC(=O)CC[C@@H](NC(=O)[C@H](N)CCC(=O)OC)C(=O)OCC
InChIInChI=1S/C15H26N2O7/c1-4-23-13(19)9-7-11(15(21)24-5-2)17-14(20)10(16)6-8-12(18)22-3/h10-11H,4-9,16H2,1-3H3,(H,17,20)/t10-,11-/m1/s1
InChIKeyTWLHXEKQYVAFQB-GHMZBOCLSA-N
MW346.38 g/mol
LogP-0.34
Rot. Bonds11

About diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate

diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate (PubChem CID 137495952) has the molecular formula C15H26N2O7 and a molecular weight of 346.38 g/mol. Its IUPAC name is diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate.

Molecular Properties

Compound Namediethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate
PubChem CID137495952
Molecular FormulaC15H26N2O7
Molecular Weight346.38 g/mol
Exact Mass346.17
IUPAC Namediethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate
SMILESCCOC(=O)CC[C@@H](NC(=O)[C@H](N)CCC(=O)OC)C(=O)OCC
InChIInChI=1S/C15H26N2O7/c1-4-23-13(19)9-7-11(15(21)24-5-2)17-14(20)10(16)6-8-12(18)22-3/h10-11H,4-9,16H2,1-3H3,(H,17,20)/t10-,11-/m1/s1
InChIKeyTWLHXEKQYVAFQB-GHMZBOCLSA-N
XLogP-0.34
TPSA134.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[[4-amino-5-[(1,5-diethoxy-1,5-dioxopentan-2-yl)amino]-5-oxopentanoyl]amino]pentanedioate
CID 86178402
dimethyl 2-aminopentanedioate;dimethyl 2-[(1-ethoxy-1,5-dioxo-5-phenylmethoxypentan-2-yl)carbamoylamino]pentanedioate;ethane
CID 144671216
dimethyl 2-[[(2S)-2,6-diaminohexanoyl]amino]pentanedioate
CID 89117111
dimethyl (2R)-2-[[(2S)-2-amino-3-octadecanoyloxypropanoyl]amino]pentanedioate;hydrochloride
CID 88735178
diethyl 2-[[10-[(1,5-diethoxy-1,5-dioxopentan-2-yl)amino]-10-oxodecanoyl]amino]pentanedioate
CID 3104562
diethyl (2S)-2-[[9-[[(2R)-1,5-diethoxy-1,5-dioxopentan-2-yl]amino]-9-oxononanoyl]amino]pentanedioate
CID 92532578
5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
CID 11345256
(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824352
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
diethyl (2S)-2-methylpentanedioate
CID 89120789
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824186
ditetradecyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]pentanedioate
CID 15604625

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate?
The IUPAC name of diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate (CID 137495952) is diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate.
What is the SMILES notation for diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate?
The canonical SMILES for diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate is CCOC(=O)CC[C@@H](NC(=O)[C@H](N)CCC(=O)OC)C(=O)OCC.
What is the InChIKey of diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate?
The InChIKey is TWLHXEKQYVAFQB-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H26N2O7/c1-4-23-13(19)9-7-11(15(21)24-5-2)17-14(20)10(16)6-8-12(18)22-3/h10-11H,4-9,16H2,1-3H3,(H,17,20)/t10-,11-/m1/s1.
What are the key properties of diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate?
diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate has a molecular weight of 346.38 g/mol, XLogP of -0.34, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate is sourced from PubChem (CID 137495952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).