5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid

C9H19N3O3 — CID 174723858

IUPAC5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid
SMILESCCC(C)(N)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-3-9(2,11)12-6(8(14)15)4-5-7(10)13/h6,12H,3-5,11H2,1-2H3,(H2,10,13)(H,14,15)
InChIKeyUBXQBFVYZGLKCN-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.62
Rot. Bonds7

About 5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid

5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid (PubChem CID 174723858) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid
PubChem CID174723858
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid
SMILESCCC(C)(N)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-3-9(2,11)12-6(8(14)15)4-5-7(10)13/h6,12H,3-5,11H2,1-2H3,(H2,10,13)(H,14,15)
InChIKeyUBXQBFVYZGLKCN-UHFFFAOYSA-N
XLogP-0.62
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
CID 79814047
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028
5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 103995818
(2R)-5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 114006135
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid
CID 154614545
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
(2S)-5-amino-2-formamido-5-oxopentanoic acid
CID 2054353
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid (CID 174723858) is 5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid is CCC(C)(N)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid?
The InChIKey is UBXQBFVYZGLKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-9(2,11)12-6(8(14)15)4-5-7(10)13/h6,12H,3-5,11H2,1-2H3,(H2,10,13)(H,14,15).
What are the key properties of 5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid?
5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid has a molecular weight of 217.27 g/mol, XLogP of -0.62, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 174723858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).