(2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate

C10H16N2O5 — CID 174581948

IUPAC(2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate
SMILESCCC(=O)C(N)C(=O)OC(=O)C(N)C(=O)CC
InChIInChI=1S/C10H16N2O5/c1-3-5(13)7(11)9(15)17-10(16)8(12)6(14)4-2/h7-8H,3-4,11-12H2,1-2H3
InChIKeyQCONWORBMANEHH-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.33
Rot. Bonds6

About (2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate

(2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate (PubChem CID 174581948) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate.

Molecular Properties

Compound Name(2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate
PubChem CID174581948
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate
SMILESCCC(=O)C(N)C(=O)OC(=O)C(N)C(=O)CC
InChIInChI=1S/C10H16N2O5/c1-3-5(13)7(11)9(15)17-10(16)8(12)6(14)4-2/h7-8H,3-4,11-12H2,1-2H3
InChIKeyQCONWORBMANEHH-UHFFFAOYSA-N
XLogP-1.33
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-aminopentan-3-one
CID 10986165
ethyl 2-amino-3-oxohexanoate
CID 11252792
(2S)-1,2-diaminopentan-3-one
CID 88560983
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996
(4R)-4-amino-5-methylhexan-3-one
CID 88898778
(2S)-2-amino-1-sulfanylpentan-3-one
CID 71474608
(4S)-4-amino-5,5-dimethylhexan-3-one
CID 58054153
2-amino-1-sulfanylpentan-3-one
CID 59888433
[(2S)-2-amino-3-oxopentyl] 2-aminoacetate
CID 162175128
(3R)-3-amino-4-oxohexanamide
CID 139478456
4-aminoheptan-3-one;ethane
CID 143359235
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate?
The IUPAC name of (2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate (CID 174581948) is (2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate.
What is the SMILES notation for (2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate?
The canonical SMILES for (2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate is CCC(=O)C(N)C(=O)OC(=O)C(N)C(=O)CC.
What is the InChIKey of (2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate?
The InChIKey is QCONWORBMANEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-3-5(13)7(11)9(15)17-10(16)8(12)6(14)4-2/h7-8H,3-4,11-12H2,1-2H3.
What are the key properties of (2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate?
(2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate has a molecular weight of 244.25 g/mol, XLogP of -1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-oxopentanoyl) 2-amino-3-oxopentanoate is sourced from PubChem (CID 174581948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).