1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide

C8H16N2O2 — CID 82723464

IUPAC1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
SMILESCC(C)(C)ONC(=O)C1(N)CC1
InChIInChI=1S/C8H16N2O2/c1-7(2,3)12-10-6(11)8(9)4-5-8/h4-5,9H2,1-3H3,(H,10,11)
InChIKeyDSERLDJNVURCKU-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.32
Rot. Bonds2

About 1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide

1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide (PubChem CID 82723464) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
PubChem CID82723464
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
SMILESCC(C)(C)ONC(=O)C1(N)CC1
InChIInChI=1S/C8H16N2O2/c1-7(2,3)12-10-6(11)8(9)4-5-8/h4-5,9H2,1-3H3,(H,10,11)
InChIKeyDSERLDJNVURCKU-UHFFFAOYSA-N
XLogP0.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.32
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 1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide (CID 82723464) is 1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide is CC(C)(C)ONC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide?
The InChIKey is DSERLDJNVURCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(2,3)12-10-6(11)8(9)4-5-8/h4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide?
1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide has a molecular weight of 172.23 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide is sourced from PubChem (CID 82723464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).