2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid

C11H16N2O8 — CID 5255

IUPAC2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid
SMILESCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)
InChIKeyOPVPGKGADVGKTG-UHFFFAOYSA-N
MW304.26 g/mol
LogP-1.60
Rot. Bonds9

About 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid

2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid (PubChem CID 5255) has the molecular formula C11H16N2O8 and a molecular weight of 304.26 g/mol. Its IUPAC name is 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid
PubChem CID5255
Molecular FormulaC11H16N2O8
Molecular Weight304.26 g/mol
Exact Mass304.09
IUPAC Name2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid
SMILESCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)
InChIKeyOPVPGKGADVGKTG-UHFFFAOYSA-N
XLogP-1.60
TPSA170.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 5-1.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-Acetyl-L-glutamic acid
CID 70914
N-Acetylaspartylglutamic acid
CID 188803
N-acetylglutamic acid
CID 185
Alanylglutamic acid
CID 128841
Glu-Glu
CID 439500
Aspartylglycine
CID 151148
Spaglumic Acid
CID 210320
Asp-Lys
CID 6427003
ZY-15106
CID 71120
Ile-Glu
CID 18218218
Lysylglutamic acid
CID 7010502
Leucylglutamic acid
CID 5259590

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid?
The IUPAC name of 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid (CID 5255) is 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid is CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid?
The InChIKey is OPVPGKGADVGKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21).
What are the key properties of 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid?
2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid has a molecular weight of 304.26 g/mol, XLogP of -1.60, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid is sourced from PubChem (CID 5255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).