(4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid

C8H15N3O4 — CID 7019962

IUPAC(4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C8H15N3O4/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13)/t4-,5+/m0/s1
InChIKeyNKUHWWPUOXOIIR-CRCLSJGQSA-N
MW217.22 g/mol
LogP-1.83
Rot. Bonds6

About (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid

(4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid (PubChem CID 7019962) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
PubChem CID7019962
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name(4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C8H15N3O4/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13)/t4-,5+/m0/s1
InChIKeyNKUHWWPUOXOIIR-CRCLSJGQSA-N
XLogP-1.83
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.83
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
4-Carbamoyl-2-acetamidobutanoic acid
CID 25561
Alanylglutamic acid
CID 128841
Glu-Glu
CID 439500
gamma-Glutamyl-Se-methylselenocysteine
CID 440760
Gamma-Glutamylglutamine
CID 150914
Glu-Lys
CID 7015704
L-gamma-glutamyl-L-glutamic acid
CID 92865
Gln-Gln
CID 7010588

Frequently Asked Questions

What is the IUPAC name of (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid (CID 7019962) is (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid is C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(N)=O.
What is the InChIKey of (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid?
The InChIKey is NKUHWWPUOXOIIR-CRCLSJGQSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13)/t4-,5+/m0/s1.
What are the key properties of (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid?
(4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid has a molecular weight of 217.22 g/mol, XLogP of -1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 7019962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).