5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid

C12H23N3O4 — CID 61199539

IUPAC5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)CC(C)NC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-7(2)6-8(3)14-12(19)15-9(11(17)18)4-5-10(13)16/h7-9H,4-6H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyXJRWOLQNQXCSSO-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.44
Rot. Bonds8

About 5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid

5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 61199539) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
PubChem CID61199539
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)CC(C)NC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-7(2)6-8(3)14-12(19)15-9(11(17)18)4-5-10(13)16/h7-9H,4-6H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyXJRWOLQNQXCSSO-UHFFFAOYSA-N
XLogP0.44
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61471308
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830456
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid
CID 107838383
(2R)-5-amino-2-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107831147
(2S)-2-(4-methylpentan-2-ylcarbamoylamino)hexanoic acid
CID 107145488
2-(4-methylpentan-2-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61198592
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
5-amino-2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 43358642
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid (CID 61199539) is 5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid is CC(C)CC(C)NC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is XJRWOLQNQXCSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-7(2)6-8(3)14-12(19)15-9(11(17)18)4-5-10(13)16/h7-9H,4-6H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid?
5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.44, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 61199539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).