methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate

C10H15NO2 — CID 103563578

IUPACmethyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate
SMILESC#CCNC1(C(=O)OC)CC(C)C1
InChIInChI=1S/C10H15NO2/c1-4-5-11-10(9(12)13-3)6-8(2)7-10/h1,8,11H,5-7H2,2-3H3
InChIKeyGFAZJTYCTVAPLE-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.55
Rot. Bonds3

About methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate

methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate (PubChem CID 103563578) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate
PubChem CID103563578
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate
SMILESC#CCNC1(C(=O)OC)CC(C)C1
InChIInChI=1S/C10H15NO2/c1-4-5-11-10(9(12)13-3)6-8(2)7-10/h1,8,11H,5-7H2,2-3H3
InChIKeyGFAZJTYCTVAPLE-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate (CID 103563578) is methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate is C#CCNC1(C(=O)OC)CC(C)C1.
What is the InChIKey of methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate?
The InChIKey is GFAZJTYCTVAPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-5-11-10(9(12)13-3)6-8(2)7-10/h1,8,11H,5-7H2,2-3H3.
What are the key properties of methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate?
methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 103563578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).