[[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid

C11H22N4O5 — CID 88793597

IUPAC[[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid
SMILESCC(C)CN(NC(=O)NN(CC(C)C)C(=O)O)C(=O)O
InChIInChI=1S/C11H22N4O5/c1-7(2)5-14(10(17)18)12-9(16)13-15(11(19)20)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,17,18)(H,19,20)(H2,12,13,16)
InChIKeyPNLCOYNOUKCCKK-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.39
Rot. Bonds4

About [[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid

[[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid (PubChem CID 88793597) has the molecular formula C11H22N4O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is [[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid.

Molecular Properties

Compound Name[[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid
PubChem CID88793597
Molecular FormulaC11H22N4O5
Molecular Weight290.32 g/mol
Exact Mass290.16
IUPAC Name[[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid
SMILESCC(C)CN(NC(=O)NN(CC(C)C)C(=O)O)C(=O)O
InChIInChI=1S/C11H22N4O5/c1-7(2)5-14(10(17)18)12-9(16)13-15(11(19)20)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,17,18)(H,19,20)(H2,12,13,16)
InChIKeyPNLCOYNOUKCCKK-UHFFFAOYSA-N
XLogP1.39
TPSA122.21 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid?
The IUPAC name of [[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid (CID 88793597) is [[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid.
What is the SMILES notation for [[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid?
The canonical SMILES for [[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid is CC(C)CN(NC(=O)NN(CC(C)C)C(=O)O)C(=O)O.
What is the InChIKey of [[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid?
The InChIKey is PNLCOYNOUKCCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O5/c1-7(2)5-14(10(17)18)12-9(16)13-15(11(19)20)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,17,18)(H,19,20)(H2,12,13,16).
What are the key properties of [[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid?
[[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid has a molecular weight of 290.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[carboxy(2-methylpropyl)amino]carbamoylamino]-(2-methylpropyl)carbamic acid is sourced from PubChem (CID 88793597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).