(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid

C10H18N4O5 — CID 7010588

IUPAC(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O
InChIInChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)/t5-,6-/m0/s1
InChIKeyLOJYQMFIIJVETK-WDSKDSINSA-N
MW274.28 g/mol
LogP-2.59
Rot. Bonds9

About (2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid (PubChem CID 7010588) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid
PubChem CID7010588
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O
InChIInChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)/t5-,6-/m0/s1
InChIKeyLOJYQMFIIJVETK-WDSKDSINSA-N
XLogP-2.59
TPSA178.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

Glutathione Disulfide
CID 65359
Glutathione
CID 124886
Aceglutamide
CID 182230
S-Nitrosoglutathione
CID 104858
L-Alanyl-L-Glutamine
CID 123935
Glycyl-L-glutamine
CID 123913
Darinaparsin
CID 11683005
Alanylglutamic acid
CID 128841
S-Methylglutathione
CID 115260
Glu-Glu
CID 439500
gamma-Glutamyl-Se-methylselenocysteine
CID 440760
Gamma-Glutamylglutamine
CID 150914

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid (CID 7010588) is (2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid?
The InChIKey is LOJYQMFIIJVETK-WDSKDSINSA-N. The full InChI is InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)/t5-,6-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 274.28 g/mol, XLogP of -2.59, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 7010588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).