(3,6-dioxopiperazin-2-yl)methylcarbamic acid

C6H9N3O4 — CID 146001280

IUPAC(3,6-dioxopiperazin-2-yl)methylcarbamic acid
SMILESO=C(O)NCC1NC(=O)CNC1=O
InChIInChI=1S/C6H9N3O4/c10-4-2-7-5(11)3(9-4)1-8-6(12)13/h3,8H,1-2H2,(H,7,11)(H,9,10)(H,12,13)
InChIKeyAAAXMJYGDLLIKU-UHFFFAOYSA-N
MW187.15 g/mol
LogP-2.13
Rot. Bonds2

About (3,6-dioxopiperazin-2-yl)methylcarbamic acid

(3,6-dioxopiperazin-2-yl)methylcarbamic acid (PubChem CID 146001280) has the molecular formula C6H9N3O4 and a molecular weight of 187.15 g/mol. Its IUPAC name is (3,6-dioxopiperazin-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(3,6-dioxopiperazin-2-yl)methylcarbamic acid
PubChem CID146001280
Molecular FormulaC6H9N3O4
Molecular Weight187.15 g/mol
Exact Mass187.06
IUPAC Name(3,6-dioxopiperazin-2-yl)methylcarbamic acid
SMILESO=C(O)NCC1NC(=O)CNC1=O
InChIInChI=1S/C6H9N3O4/c10-4-2-7-5(11)3(9-4)1-8-6(12)13/h3,8H,1-2H2,(H,7,11)(H,9,10)(H,12,13)
InChIKeyAAAXMJYGDLLIKU-UHFFFAOYSA-N
XLogP-2.13
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,6-dioxopiperazin-2-yl)methylcarbamic acid?
The IUPAC name of (3,6-dioxopiperazin-2-yl)methylcarbamic acid (CID 146001280) is (3,6-dioxopiperazin-2-yl)methylcarbamic acid.
What is the SMILES notation for (3,6-dioxopiperazin-2-yl)methylcarbamic acid?
The canonical SMILES for (3,6-dioxopiperazin-2-yl)methylcarbamic acid is O=C(O)NCC1NC(=O)CNC1=O.
What is the InChIKey of (3,6-dioxopiperazin-2-yl)methylcarbamic acid?
The InChIKey is AAAXMJYGDLLIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c10-4-2-7-5(11)3(9-4)1-8-6(12)13/h3,8H,1-2H2,(H,7,11)(H,9,10)(H,12,13).
What are the key properties of (3,6-dioxopiperazin-2-yl)methylcarbamic acid?
(3,6-dioxopiperazin-2-yl)methylcarbamic acid has a molecular weight of 187.15 g/mol, XLogP of -2.13, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dioxopiperazin-2-yl)methylcarbamic acid is sourced from PubChem (CID 146001280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).