2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid

C8H14N2O5 — CID 5154674

IUPAC2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid
SMILESCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyWQXXXVRAFAKQJM-UHFFFAOYSA-N
MW218.21 g/mol
LogP-1.23
Rot. Bonds6

About 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid

2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid (PubChem CID 5154674) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid
PubChem CID5154674
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid
SMILESCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyWQXXXVRAFAKQJM-UHFFFAOYSA-N
XLogP-1.23
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7405
Glutathione
CID 124886
Aceglutamide
CID 182230
N-acetyl-L-glutamic acid
CID 70914
L-Theanine
CID 439378
Gamma-L-Glutamyl-L-cysteine
CID 123938
L-Alanyl-L-Glutamine
CID 123935
N-acetylglutamic acid
CID 185
N-Acetyl-L-ornithine
CID 439232
Pyrrolidone carboxylic acid
CID 499
Darinaparsin
CID 11683005
Glycyl-L-glutamine
CID 123913

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid (CID 5154674) is 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid is CC(NC(=O)CCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid?
The InChIKey is WQXXXVRAFAKQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid?
2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 5154674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).