2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid

C7H14N4O5 — CID 129157993

IUPAC2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)NCCNC(=O)O
InChIInChI=1S/C7H14N4O5/c12-5(8-1-3-10-6(13)14)9-2-4-11-7(15)16/h10-11H,1-4H2,(H,13,14)(H,15,16)(H2,8,9,12)
InChIKeyLNHPIJZSOLOUME-UHFFFAOYSA-N
MW234.21 g/mol
LogP-1.18
Rot. Bonds6

About 2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid

2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid (PubChem CID 129157993) has the molecular formula C7H14N4O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid
PubChem CID129157993
Molecular FormulaC7H14N4O5
Molecular Weight234.21 g/mol
Exact Mass234.10
IUPAC Name2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)NCCNC(=O)O
InChIInChI=1S/C7H14N4O5/c12-5(8-1-3-10-6(13)14)9-2-4-11-7(15)16/h10-11H,1-4H2,(H,13,14)(H,15,16)(H2,8,9,12)
InChIKeyLNHPIJZSOLOUME-UHFFFAOYSA-N
XLogP-1.18
TPSA139.79 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.21
LogP ≤ 5-1.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid?
The IUPAC name of 2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid (CID 129157993) is 2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid.
What is the SMILES notation for 2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid?
The canonical SMILES for 2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid is O=C(O)NCCNC(=O)NCCNC(=O)O.
What is the InChIKey of 2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid?
The InChIKey is LNHPIJZSOLOUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O5/c12-5(8-1-3-10-6(13)14)9-2-4-11-7(15)16/h10-11H,1-4H2,(H,13,14)(H,15,16)(H2,8,9,12).
What are the key properties of 2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid?
2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid has a molecular weight of 234.21 g/mol, XLogP of -1.18, 6 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxyamino)ethylcarbamoylamino]ethylcarbamic acid is sourced from PubChem (CID 129157993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).