but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid

C10H18N2O4 — CID 174730224

IUPACbut-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid
SMILESC=C(CC)N(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-7(2)12(9(14)15)11-8(13)16-10(3,4)5/h2,6H2,1,3-5H3,(H,11,13)(H,14,15)
InChIKeyAEVBZEFSKIFXFV-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.33
Rot. Bonds2

About but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid

but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid (PubChem CID 174730224) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid.

Molecular Properties

Compound Namebut-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid
PubChem CID174730224
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namebut-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid
SMILESC=C(CC)N(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-7(2)12(9(14)15)11-8(13)16-10(3,4)5/h2,6H2,1,3-5H3,(H,11,13)(H,14,15)
InChIKeyAEVBZEFSKIFXFV-UHFFFAOYSA-N
XLogP2.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
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 but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid?
The IUPAC name of but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid (CID 174730224) is but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid.
What is the SMILES notation for but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid?
The canonical SMILES for but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid is C=C(CC)N(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid?
The InChIKey is AEVBZEFSKIFXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-7(2)12(9(14)15)11-8(13)16-10(3,4)5/h2,6H2,1,3-5H3,(H,11,13)(H,14,15).
What are the key properties of but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid?
but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid has a molecular weight of 230.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid is sourced from PubChem (CID 174730224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).