(2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride

C11H17ClN4O5 — CID 57402635

IUPAC(2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(CN1C(=O)C[C@H](NC(=O)[C@@H]2CCCN2)C1=O)NO
InChIInChI=1S/C11H16N4O5.ClH/c16-8(14-20)5-15-9(17)4-7(11(15)19)13-10(18)6-2-1-3-12-6;/h6-7,12,20H,1-5H2,(H,13,18)(H,14,16);1H/t6-,7-;/m0./s1
InChIKeyTUJJYZQEDHDELJ-LEUCUCNGSA-N
MW320.73 g/mol
LogP-2.09
Rot. Bonds4

About (2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 57402635) has the molecular formula C11H17ClN4O5 and a molecular weight of 320.73 g/mol. Its IUPAC name is (2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID57402635
Molecular FormulaC11H17ClN4O5
Molecular Weight320.73 g/mol
Exact Mass320.09
IUPAC Name(2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(CN1C(=O)C[C@H](NC(=O)[C@@H]2CCCN2)C1=O)NO
InChIInChI=1S/C11H16N4O5.ClH/c16-8(14-20)5-15-9(17)4-7(11(15)19)13-10(18)6-2-1-3-12-6;/h6-7,12,20H,1-5H2,(H,13,18)(H,14,16);1H/t6-,7-;/m0./s1
InChIKeyTUJJYZQEDHDELJ-LEUCUCNGSA-N
XLogP-2.09
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 57402635) is (2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(CN1C(=O)C[C@H](NC(=O)[C@@H]2CCCN2)C1=O)NO.
What is the InChIKey of (2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is TUJJYZQEDHDELJ-LEUCUCNGSA-N. The full InChI is InChI=1S/C11H16N4O5.ClH/c16-8(14-20)5-15-9(17)4-7(11(15)19)13-10(18)6-2-1-3-12-6;/h6-7,12,20H,1-5H2,(H,13,18)(H,14,16);1H/t6-,7-;/m0./s1.
What are the key properties of (2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 320.73 g/mol, XLogP of -2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 57402635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).