5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid

C10H18N2O4 — CID 106344071

IUPAC5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)C(NC(=O)CCCC(=O)O)C(N)=O
InChIInChI=1S/C10H18N2O4/c1-6(2)9(10(11)16)12-7(13)4-3-5-8(14)15/h6,9H,3-5H2,1-2H3,(H2,11,16)(H,12,13)(H,14,15)
InChIKeyLUFYPPYRGKVSBM-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.13
Rot. Bonds7

About 5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid

5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 106344071) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
PubChem CID106344071
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)C(NC(=O)CCCC(=O)O)C(N)=O
InChIInChI=1S/C10H18N2O4/c1-6(2)9(10(11)16)12-7(13)4-3-5-8(14)15/h6,9H,3-5H2,1-2H3,(H2,11,16)(H,12,13)(H,14,15)
InChIKeyLUFYPPYRGKVSBM-UHFFFAOYSA-N
XLogP-0.13
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanamide;molecular hydrogen;hydrate
CID 163276289
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
5-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 123914113
4-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-methylamino]butanoic acid
CID 106346533
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide
CID 145289155
5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
CID 104827520
(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid
CID 166997811
5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 20586207
5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 143725442
2-[(2S)-2-(4-aminobutanoylamino)-3-methylbutanoyl]oxyacetic acid
CID 88551584
5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
CID 172572063

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid (CID 106344071) is 5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid is CC(C)C(NC(=O)CCCC(=O)O)C(N)=O.
What is the InChIKey of 5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is LUFYPPYRGKVSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(2)9(10(11)16)12-7(13)4-3-5-8(14)15/h6,9H,3-5H2,1-2H3,(H2,11,16)(H,12,13)(H,14,15).
What are the key properties of 5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid?
5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 106344071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).