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

C10H18N2O4 — CID 134400574

IUPAC5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SMILESCC(C)[C@H](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)/t9-/m0/s1
InChIKeyLUFYPPYRGKVSBM-VIFPVBQESA-N
MW230.26 g/mol
LogP-0.13
Rot. Bonds7

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

5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 134400574) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
PubChem CID134400574
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SMILESCC(C)[C@H](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)/t9-/m0/s1
InChIKeyLUFYPPYRGKVSBM-VIFPVBQESA-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

L-Alanyl-L-Glutamine
CID 123935
Glycyl-L-leucine
CID 92843
L-Alanyl-L-leucine
CID 96801
Glycyl-L-glutamine
CID 123913
L-leucyl-L-leucine
CID 76807
Ala-Ile
CID 7408079
Glu-Glu
CID 439500
gamma-Glutamyl-Se-methylselenocysteine
CID 440760
Gamma-Glutamylglutamine
CID 150914
Gln-Gln
CID 7010588
Gamma-Glutamylalanine
CID 440103
Ophthalmic acid
CID 7018721

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (CID 134400574) is 5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is CC(C)[C@H](NC(=O)CCCC(=O)O)C(N)=O.
What is the InChIKey of 5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is LUFYPPYRGKVSBM-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of 5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
5-[[(2S)-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-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 134400574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).