(2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid

C9H11N3O5 — CID 175430685

IUPAC(2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C9H11N3O5/c10-6(13)2-1-5(9(16)17)11-12-7(14)3-4-8(12)15/h3-5,11H,1-2H2,(H2,10,13)(H,16,17)/t5-/m0/s1
InChIKeyLQYRZMBDVDVMID-YFKPBYRVSA-N
MW241.20 g/mol
LogP-1.87
Rot. Bonds6

About (2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid (PubChem CID 175430685) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid
PubChem CID175430685
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name(2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C9H11N3O5/c10-6(13)2-1-5(9(16)17)11-12-7(14)3-4-8(12)15/h3-5,11H,1-2H2,(H2,10,13)(H,16,17)/t5-/m0/s1
InChIKeyLQYRZMBDVDVMID-YFKPBYRVSA-N
XLogP-1.87
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-Amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 22717609
(2S)-6-amino-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 54180362
2-[(2,5-Dioxopyrrol-1-yl)amino]hexanoic acid
CID 67635438
2-[6-(2,5-Dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid
CID 70885029
(2S)-5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid
CID 141766093
(2S)-6-azido-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 145770998
6-Azido-2-[(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 156133699
(4S)-4-amino-5-[amino(prop-2-enoyl)amino]-5-oxopentanoic acid;hydrobromide
CID 175014333
5-Amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid
CID 175329743
4-Amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid
CID 175361096
2,5-Diamino-5-oxopentanoic acid;pyrrole-2,5-dione
CID 175430686
(2S,3S)-2-[(2,5-dioxopyrrol-1-yl)amino]-3-methylpentanoic acid
CID 178598402

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid (CID 175430685) is (2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid?
The InChIKey is LQYRZMBDVDVMID-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11N3O5/c10-6(13)2-1-5(9(16)17)11-12-7(14)3-4-8(12)15/h3-5,11H,1-2H2,(H2,10,13)(H,16,17)/t5-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid has a molecular weight of 241.20 g/mol, XLogP of -1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 175430685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).