5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid

C11H21N3O4 — CID 61188845

IUPAC5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
SMILESCCC(CC)NC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-7(4-2)13-11(18)14-8(10(16)17)5-6-9(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyXVFYBNGBQGTTEP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.19
Rot. Bonds8

About 5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid

5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid (PubChem CID 61188845) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
PubChem CID61188845
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
SMILESCCC(CC)NC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-7(4-2)13-11(18)14-8(10(16)17)5-6-9(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyXVFYBNGBQGTTEP-UHFFFAOYSA-N
XLogP0.19
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830928
(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 63996158
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
2-(hexan-3-ylcarbamoylamino)pentanedioic acid
CID 62119711
5-amino-2-[(1-carboxy-4-hydroxybutyl)carbamoylamino]-5-oxopentanoic acid
CID 123228019
5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61199539
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
CID 80750743
(2S)-4-methylsulfanyl-2-(pentan-3-ylcarbamoylamino)butanoic acid
CID 61187767
5-amino-2-[(1-carboxy-4-oxobutyl)carbamoylamino]-5-oxopentanoic acid
CID 137398829
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid (CID 61188845) is 5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid is CCC(CC)NC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid?
The InChIKey is XVFYBNGBQGTTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-7(4-2)13-11(18)14-8(10(16)17)5-6-9(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid?
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.19, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61188845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).