2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid

C10H18N2O5 — CID 5317736

IUPAC2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid
SMILESCC(C)C(NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-7(13)4-3-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyAQAKHZVPOOGUCK-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.60
Rot. Bonds7

About 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid

2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid (PubChem CID 5317736) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid
PubChem CID5317736
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid
SMILESCC(C)C(NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-7(13)4-3-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyAQAKHZVPOOGUCK-UHFFFAOYSA-N
XLogP-0.60
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Aceglutamide
CID 182230
L-Theanine
CID 439378
L-Alanyl-L-Glutamine
CID 123935
Glycyl-L-glutamine
CID 123913
L-leucyl-L-leucine
CID 76807
N-Acetyl-L-Citrulline
CID 656979
4-Carbamoyl-2-acetamidobutanoic acid
CID 25561
gamma-Glutamyl-Se-methylselenocysteine
CID 440760
Gamma-Glutamylglutamine
CID 150914
gamma-Glutamylleucine
CID 151023
gamma-Glutamylmethionine
CID 7009567
Glu-Lys
CID 7015704

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid (CID 5317736) is 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid is CC(C)C(NC(=O)CCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid?
The InChIKey is AQAKHZVPOOGUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-7(13)4-3-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid?
2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.60, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 5317736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).