5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid

C12H23N3O4 — CID 114143086

IUPAC5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H23N3O4/c1-8(4-5-10(17)18)7-14-11(19)15-12(2,3)6-9(13)16/h8H,4-7H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyKLOGUSCRXRWMNJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.44
Rot. Bonds8

About 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid

5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 114143086) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid
PubChem CID114143086
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H23N3O4/c1-8(4-5-10(17)18)7-14-11(19)15-12(2,3)6-9(13)16/h8H,4-7H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyKLOGUSCRXRWMNJ-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

3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 106097819
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]hexanoic acid
CID 114143104
3-[[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]methyl]pentanoic acid
CID 106097804
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 64702187
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide
CID 106096608
5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
CID 82688450
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 106097791
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 82013638
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 106097853
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid (CID 114143086) is 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is KLOGUSCRXRWMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-8(4-5-10(17)18)7-14-11(19)15-12(2,3)6-9(13)16/h8H,4-7H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid?
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic 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-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 114143086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).